N-(3,4-dimethoxyphenyl)-2-[(5-methyl-2-pyridinyl)amino]-1,3-thiazole-4-carboxamide

C18H18N4O3S — CID 51002931

IUPACN-(3,4-dimethoxyphenyl)-2-[(5-methyl-2-pyridinyl)amino]-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2csc(Nc3ccc(C)cn3)n2)cc1OC
InChIInChI=1S/C18H18N4O3S/c1-11-4-7-16(19-9-11)22-18-21-13(10-26-18)17(23)20-12-5-6-14(24-2)15(8-12)25-3/h4-10H,1-3H3,(H,20,23)(H,19,21,22)
InChIKeyZFASBVZQNPHRHZ-UHFFFAOYSA-N
MW370.43 g/mol
LogP3.86
Rot. Bonds6

About N-(3,4-dimethoxyphenyl)-2-[(5-methyl-2-pyridinyl)amino]-1,3-thiazole-4-carboxamide

N-(3,4-dimethoxyphenyl)-2-[(5-methyl-2-pyridinyl)amino]-1,3-thiazole-4-carboxamide (PubChem CID 51002931) has the molecular formula C18H18N4O3S and a molecular weight of 370.43 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-2-[(5-methyl-2-pyridinyl)amino]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-2-[(5-methyl-2-pyridinyl)amino]-1,3-thiazole-4-carboxamide
PubChem CID51002931
Molecular FormulaC18H18N4O3S
Molecular Weight370.43 g/mol
Exact Mass370.11
IUPAC NameN-(3,4-dimethoxyphenyl)-2-[(5-methyl-2-pyridinyl)amino]-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2csc(Nc3ccc(C)cn3)n2)cc1OC
InChIInChI=1S/C18H18N4O3S/c1-11-4-7-16(19-9-11)22-18-21-13(10-26-18)17(23)20-12-5-6-14(24-2)15(8-12)25-3/h4-10H,1-3H3,(H,20,23)(H,19,21,22)
InChIKeyZFASBVZQNPHRHZ-UHFFFAOYSA-N
XLogP3.86
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-2-[(5-methyl-2-pyridinyl)amino]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-2-[(5-methyl-2-pyridinyl)amino]-1,3-thiazole-4-carboxamide (CID 51002931) is N-(3,4-dimethoxyphenyl)-2-[(5-methyl-2-pyridinyl)amino]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-2-[(5-methyl-2-pyridinyl)amino]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-2-[(5-methyl-2-pyridinyl)amino]-1,3-thiazole-4-carboxamide is COc1ccc(NC(=O)c2csc(Nc3ccc(C)cn3)n2)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-2-[(5-methyl-2-pyridinyl)amino]-1,3-thiazole-4-carboxamide?
The InChIKey is ZFASBVZQNPHRHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3S/c1-11-4-7-16(19-9-11)22-18-21-13(10-26-18)17(23)20-12-5-6-14(24-2)15(8-12)25-3/h4-10H,1-3H3,(H,20,23)(H,19,21,22).
What are the key properties of N-(3,4-dimethoxyphenyl)-2-[(5-methyl-2-pyridinyl)amino]-1,3-thiazole-4-carboxamide?
N-(3,4-dimethoxyphenyl)-2-[(5-methyl-2-pyridinyl)amino]-1,3-thiazole-4-carboxamide has a molecular weight of 370.43 g/mol, XLogP of 3.86, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-2-[(5-methyl-2-pyridinyl)amino]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 51002931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).