2-methoxy-N-[4-(4-methyl-3-pyridinyl)-1,3-thiazol-2-yl]pyrimidine-5-carboxamide

C15H13N5O2S — CID 162387055

IUPAC2-methoxy-N-[4-(4-methyl-3-pyridinyl)-1,3-thiazol-2-yl]pyrimidine-5-carboxamide
SMILESCOc1ncc(C(=O)Nc2nc(-c3cnccc3C)cs2)cn1
InChIInChI=1S/C15H13N5O2S/c1-9-3-4-16-7-11(9)12-8-23-15(19-12)20-13(21)10-5-17-14(22-2)18-6-10/h3-8H,1-2H3,(H,19,20,21)
InChIKeyYMPNNIXNBNURQE-UHFFFAOYSA-N
MW327.37 g/mol
LogP2.56
Rot. Bonds4

About 2-methoxy-N-[4-(4-methyl-3-pyridinyl)-1,3-thiazol-2-yl]pyrimidine-5-carboxamide

2-methoxy-N-[4-(4-methyl-3-pyridinyl)-1,3-thiazol-2-yl]pyrimidine-5-carboxamide (PubChem CID 162387055) has the molecular formula C15H13N5O2S and a molecular weight of 327.37 g/mol. Its IUPAC name is 2-methoxy-N-[4-(4-methyl-3-pyridinyl)-1,3-thiazol-2-yl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-methoxy-N-[4-(4-methyl-3-pyridinyl)-1,3-thiazol-2-yl]pyrimidine-5-carboxamide
PubChem CID162387055
Molecular FormulaC15H13N5O2S
Molecular Weight327.37 g/mol
Exact Mass327.08
IUPAC Name2-methoxy-N-[4-(4-methyl-3-pyridinyl)-1,3-thiazol-2-yl]pyrimidine-5-carboxamide
SMILESCOc1ncc(C(=O)Nc2nc(-c3cnccc3C)cs2)cn1
InChIInChI=1S/C15H13N5O2S/c1-9-3-4-16-7-11(9)12-8-23-15(19-12)20-13(21)10-5-17-14(22-2)18-6-10/h3-8H,1-2H3,(H,19,20,21)
InChIKeyYMPNNIXNBNURQE-UHFFFAOYSA-N
XLogP2.56
TPSA89.89 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.37
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-chloro-N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 39016010
6-methyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 18151055
N-[4-(3-methoxy-4,5-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 58442481
7-(4-methyl-3-pyridinyl)-N-(4-methyl-1,3-thiazol-2-yl)-1,3-benzothiazole-5-carboxamide
CID 171092022
N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 39016403
2-chloro-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 32696154
N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 19196276
3-chloro-5-(4-methyl-3-pyridinyl)-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 172523643
3-fluoro-5-(4-methyl-3-pyridinyl)-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 167518263
N,4-dimethyl-3-[4-(4-methyl-3-pyridinyl)-1,3-thiazol-2-yl]benzamide
CID 22049767
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]pyrazine-2-carboxamide
CID 3914278
N-[4-(4-hydroxy-2,6-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 86690827

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[4-(4-methyl-3-pyridinyl)-1,3-thiazol-2-yl]pyrimidine-5-carboxamide?
The IUPAC name of 2-methoxy-N-[4-(4-methyl-3-pyridinyl)-1,3-thiazol-2-yl]pyrimidine-5-carboxamide (CID 162387055) is 2-methoxy-N-[4-(4-methyl-3-pyridinyl)-1,3-thiazol-2-yl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-methoxy-N-[4-(4-methyl-3-pyridinyl)-1,3-thiazol-2-yl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-methoxy-N-[4-(4-methyl-3-pyridinyl)-1,3-thiazol-2-yl]pyrimidine-5-carboxamide is COc1ncc(C(=O)Nc2nc(-c3cnccc3C)cs2)cn1.
What is the InChIKey of 2-methoxy-N-[4-(4-methyl-3-pyridinyl)-1,3-thiazol-2-yl]pyrimidine-5-carboxamide?
The InChIKey is YMPNNIXNBNURQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O2S/c1-9-3-4-16-7-11(9)12-8-23-15(19-12)20-13(21)10-5-17-14(22-2)18-6-10/h3-8H,1-2H3,(H,19,20,21).
What are the key properties of 2-methoxy-N-[4-(4-methyl-3-pyridinyl)-1,3-thiazol-2-yl]pyrimidine-5-carboxamide?
2-methoxy-N-[4-(4-methyl-3-pyridinyl)-1,3-thiazol-2-yl]pyrimidine-5-carboxamide has a molecular weight of 327.37 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[4-(4-methyl-3-pyridinyl)-1,3-thiazol-2-yl]pyrimidine-5-carboxamide is sourced from PubChem (CID 162387055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).