N-[4-(1,5-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]-8-methoxy-2-methylquinoline-3-carboxamide

C20H19N5O2S — CID 46978766

IUPACN-[4-(1,5-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]-8-methoxy-2-methylquinoline-3-carboxamide
SMILESCOc1cccc2cc(C(=O)Nc3nc(-c4cnn(C)c4C)cs3)c(C)nc12
InChIInChI=1S/C20H19N5O2S/c1-11-14(8-13-6-5-7-17(27-4)18(13)22-11)19(26)24-20-23-16(10-28-20)15-9-21-25(3)12(15)2/h5-10H,1-4H3,(H,23,24,26)
InChIKeyCBNMHBJTPMLSIE-UHFFFAOYSA-N
MW393.47 g/mol
LogP3.97
Rot. Bonds4

About N-[4-(1,5-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]-8-methoxy-2-methylquinoline-3-carboxamide

N-[4-(1,5-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]-8-methoxy-2-methylquinoline-3-carboxamide (PubChem CID 46978766) has the molecular formula C20H19N5O2S and a molecular weight of 393.47 g/mol. Its IUPAC name is N-[4-(1,5-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]-8-methoxy-2-methylquinoline-3-carboxamide.

Molecular Properties

Compound NameN-[4-(1,5-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]-8-methoxy-2-methylquinoline-3-carboxamide
PubChem CID46978766
Molecular FormulaC20H19N5O2S
Molecular Weight393.47 g/mol
Exact Mass393.13
IUPAC NameN-[4-(1,5-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]-8-methoxy-2-methylquinoline-3-carboxamide
SMILESCOc1cccc2cc(C(=O)Nc3nc(-c4cnn(C)c4C)cs3)c(C)nc12
InChIInChI=1S/C20H19N5O2S/c1-11-14(8-13-6-5-7-17(27-4)18(13)22-11)19(26)24-20-23-16(10-28-20)15-9-21-25(3)12(15)2/h5-10H,1-4H3,(H,23,24,26)
InChIKeyCBNMHBJTPMLSIE-UHFFFAOYSA-N
XLogP3.97
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(1,5-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 19493807
2-[5-[[4-(1,5-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]carbamoyl]pyrazol-1-yl]acetic acid
CID 19482663
4-[(2,4-difluorophenoxy)methyl]-N-[4-(1,5-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 19469810
3-methoxy-N-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]naphthalene-2-carboxamide
CID 5075767
2,3-dichloro-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 26242208
N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-2,4,5-trimethoxybenzamide
CID 8838918
2,4-dimethoxy-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 39219203
4-[(3-chlorophenoxy)methyl]-N-[4-(1,5-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19444132
5-(2,5-dimethylpyrrol-1-yl)-1-methyl-N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]pyrazole-4-carboxamide
CID 52745731
N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-methylpyrazole-3-carboxamide
CID 42110479
N-[4-(1,5-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]-4-[(2,3,5-trimethylphenoxy)methyl]thiophene-2-carboxamide
CID 19490759
3-methoxy-N-(4-methyl-1,3-thiazol-2-yl)naphthalene-2-carboxamide
CID 2551174

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,5-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]-8-methoxy-2-methylquinoline-3-carboxamide?
The IUPAC name of N-[4-(1,5-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]-8-methoxy-2-methylquinoline-3-carboxamide (CID 46978766) is N-[4-(1,5-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]-8-methoxy-2-methylquinoline-3-carboxamide.
What is the SMILES notation for N-[4-(1,5-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]-8-methoxy-2-methylquinoline-3-carboxamide?
The canonical SMILES for N-[4-(1,5-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]-8-methoxy-2-methylquinoline-3-carboxamide is COc1cccc2cc(C(=O)Nc3nc(-c4cnn(C)c4C)cs3)c(C)nc12.
What is the InChIKey of N-[4-(1,5-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]-8-methoxy-2-methylquinoline-3-carboxamide?
The InChIKey is CBNMHBJTPMLSIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2S/c1-11-14(8-13-6-5-7-17(27-4)18(13)22-11)19(26)24-20-23-16(10-28-20)15-9-21-25(3)12(15)2/h5-10H,1-4H3,(H,23,24,26).
What are the key properties of N-[4-(1,5-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]-8-methoxy-2-methylquinoline-3-carboxamide?
N-[4-(1,5-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]-8-methoxy-2-methylquinoline-3-carboxamide has a molecular weight of 393.47 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,5-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]-8-methoxy-2-methylquinoline-3-carboxamide is sourced from PubChem (CID 46978766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).