N-(2-carbamoylphenyl)-2-(6-methoxy-3-pyridinyl)-1,3-thiazole-4-carboxamide;N-(4-carbamoyl-3-pyridinyl)-2-pyridin-4-yl-1,3-thiazole-4-carboxamide

C32H25N9O5S2 — CID 159120113

IUPACN-(2-carbamoylphenyl)-2-(6-methoxy-3-pyridinyl)-1,3-thiazole-4-carboxamide;N-(4-carbamoyl-3-pyridinyl)-2-pyridin-4-yl-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(-c2nc(C(=O)Nc3ccccc3C(N)=O)cs2)cn1.NC(=O)c1ccncc1NC(=O)c1csc(-c2ccncc2)n1
InChIInChI=1S/C17H14N4O3S.C15H11N5O2S/c1-24-14-7-6-10(8-19-14)17-21-13(9-25-17)16(23)20-12-5-3-2-4-11(12)15(18)22;16-13(21)10-3-6-18-7-11(10)19-14(22)12-8-23-15(20-12)9-1-4-17-5-2-9/h2-9H,1H3,(H2,18,22)(H,20,23);1-8H,(H2,16,21)(H,19,22)
InChIKeyKFOYYWMNXKHDQN-UHFFFAOYSA-N
MW679.74 g/mol
LogP4.52
Rot. Bonds9

About N-(2-carbamoylphenyl)-2-(6-methoxy-3-pyridinyl)-1,3-thiazole-4-carboxamide;N-(4-carbamoyl-3-pyridinyl)-2-pyridin-4-yl-1,3-thiazole-4-carboxamide

N-(2-carbamoylphenyl)-2-(6-methoxy-3-pyridinyl)-1,3-thiazole-4-carboxamide;N-(4-carbamoyl-3-pyridinyl)-2-pyridin-4-yl-1,3-thiazole-4-carboxamide (PubChem CID 159120113) has the molecular formula C32H25N9O5S2 and a molecular weight of 679.74 g/mol. Its IUPAC name is N-(2-carbamoylphenyl)-2-(6-methoxy-3-pyridinyl)-1,3-thiazole-4-carboxamide;N-(4-carbamoyl-3-pyridinyl)-2-pyridin-4-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-carbamoylphenyl)-2-(6-methoxy-3-pyridinyl)-1,3-thiazole-4-carboxamide;N-(4-carbamoyl-3-pyridinyl)-2-pyridin-4-yl-1,3-thiazole-4-carboxamide
PubChem CID159120113
Molecular FormulaC32H25N9O5S2
Molecular Weight679.74 g/mol
Exact Mass679.14
IUPAC NameN-(2-carbamoylphenyl)-2-(6-methoxy-3-pyridinyl)-1,3-thiazole-4-carboxamide;N-(4-carbamoyl-3-pyridinyl)-2-pyridin-4-yl-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(-c2nc(C(=O)Nc3ccccc3C(N)=O)cs2)cn1.NC(=O)c1ccncc1NC(=O)c1csc(-c2ccncc2)n1
InChIInChI=1S/C17H14N4O3S.C15H11N5O2S/c1-24-14-7-6-10(8-19-14)17-21-13(9-25-17)16(23)20-12-5-3-2-4-11(12)15(18)22;16-13(21)10-3-6-18-7-11(10)19-14(22)12-8-23-15(20-12)9-1-4-17-5-2-9/h2-9H,1H3,(H2,18,22)(H,20,23);1-8H,(H2,16,21)(H,19,22)
InChIKeyKFOYYWMNXKHDQN-UHFFFAOYSA-N
XLogP4.52
TPSA218.06 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds9
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500679.74
LogP ≤ 54.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Analyze N-(2-carbamoylphenyl)-2-(6-methoxy-3-pyridinyl)-1,3-thiazole-4-carboxamide;N-(4-carbamoyl-3-pyridinyl)-2-pyridin-4-yl-1,3-thiazole-4-carboxamide with MolForge

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Related Compounds

US9617282, Example 127
CID 86299074
US9617282, Example 128
CID 86299137
N-[[(2S)-1-[5-(2-fluorophenyl)-2-(4-methoxyphenyl)-1,3-thiazole-4-carbonyl]piperidin-2-yl]methyl]-1-methylindole-3-carboxamide
CID 25255137
N-(2-carbamoyl-5-methylphenyl)-2-[6-(2,2,2-trifluoroethoxy)pyridin-3-yl]-1,3-thiazole-4-carboxamide
CID 42639277
N-(2-carbamoyl-5-methylphenyl)-2-[6-(2,2,2-trifluoroethoxy)pyridin-3-yl]-1,3-thiazole-4-carboxamide;N-(2-carbamoyl-5-methylphenyl)-2-[4-(trifluoromethyl)pyridin-3-yl]-1,3-thiazole-4-carboxamide
CID 159350272
1-[(2-Fluorophenyl)methyl]-5-[2-(6-methoxy-3-pyridinyl)-1,3-thiazol-4-yl]-2-methylpyrrole-3-carboxamide
CID 3860031
1-[(3-Fluorophenyl)methyl]-5-[2-(6-methoxy-3-pyridinyl)-1,3-thiazol-4-yl]-2-methylpyrrole-3-carboxamide
CID 3860338
2-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]-N-(6-methoxy-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 24076099
N-(1-benzylpiperidin-4-yl)-2-(6-methoxy-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 117081865
1-[(4-methoxyphenyl)methyl]-N-(3-methoxypropyl)-2-methyl-5-[2-(6-methyl-3-pyridinyl)-1,3-thiazol-4-yl]pyrrole-3-carboxamide
CID 3357911
1-[(4-methoxyphenyl)methyl]-2-methyl-N-(2-methylpropyl)-5-[2-(6-methyl-3-pyridinyl)-1,3-thiazol-4-yl]pyrrole-3-carboxamide
CID 3476295
5-[2-(2-ethyl-4-pyridinyl)-1,3-thiazol-4-yl]-1-[(4-methoxyphenyl)methyl]-2-methyl-N-prop-2-enylpyrrole-3-carboxamide
CID 3611364

Frequently Asked Questions

What is the IUPAC name of N-(2-carbamoylphenyl)-2-(6-methoxy-3-pyridinyl)-1,3-thiazole-4-carboxamide;N-(4-carbamoyl-3-pyridinyl)-2-pyridin-4-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(2-carbamoylphenyl)-2-(6-methoxy-3-pyridinyl)-1,3-thiazole-4-carboxamide;N-(4-carbamoyl-3-pyridinyl)-2-pyridin-4-yl-1,3-thiazole-4-carboxamide (CID 159120113) is N-(2-carbamoylphenyl)-2-(6-methoxy-3-pyridinyl)-1,3-thiazole-4-carboxamide;N-(4-carbamoyl-3-pyridinyl)-2-pyridin-4-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(2-carbamoylphenyl)-2-(6-methoxy-3-pyridinyl)-1,3-thiazole-4-carboxamide;N-(4-carbamoyl-3-pyridinyl)-2-pyridin-4-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(2-carbamoylphenyl)-2-(6-methoxy-3-pyridinyl)-1,3-thiazole-4-carboxamide;N-(4-carbamoyl-3-pyridinyl)-2-pyridin-4-yl-1,3-thiazole-4-carboxamide is COc1ccc(-c2nc(C(=O)Nc3ccccc3C(N)=O)cs2)cn1.NC(=O)c1ccncc1NC(=O)c1csc(-c2ccncc2)n1.
What is the InChIKey of N-(2-carbamoylphenyl)-2-(6-methoxy-3-pyridinyl)-1,3-thiazole-4-carboxamide;N-(4-carbamoyl-3-pyridinyl)-2-pyridin-4-yl-1,3-thiazole-4-carboxamide?
The InChIKey is KFOYYWMNXKHDQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O3S.C15H11N5O2S/c1-24-14-7-6-10(8-19-14)17-21-13(9-25-17)16(23)20-12-5-3-2-4-11(12)15(18)22;16-13(21)10-3-6-18-7-11(10)19-14(22)12-8-23-15(20-12)9-1-4-17-5-2-9/h2-9H,1H3,(H2,18,22)(H,20,23);1-8H,(H2,16,21)(H,19,22).
What are the key properties of N-(2-carbamoylphenyl)-2-(6-methoxy-3-pyridinyl)-1,3-thiazole-4-carboxamide;N-(4-carbamoyl-3-pyridinyl)-2-pyridin-4-yl-1,3-thiazole-4-carboxamide?
N-(2-carbamoylphenyl)-2-(6-methoxy-3-pyridinyl)-1,3-thiazole-4-carboxamide;N-(4-carbamoyl-3-pyridinyl)-2-pyridin-4-yl-1,3-thiazole-4-carboxamide has a molecular weight of 679.74 g/mol, XLogP of 4.52, 9 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-carbamoylphenyl)-2-(6-methoxy-3-pyridinyl)-1,3-thiazole-4-carboxamide;N-(4-carbamoyl-3-pyridinyl)-2-pyridin-4-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 159120113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).