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

C19H18N4O3S — CID 59453560

IUPAC5-[(4-methoxybenzoyl)amino]-2-[(2-methyl-4-pyridinyl)methyl]-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(C(=O)Nc2sc(Cc3ccnc(C)c3)nc2C(N)=O)cc1
InChIInChI=1S/C19H18N4O3S/c1-11-9-12(7-8-21-11)10-15-22-16(17(20)24)19(27-15)23-18(25)13-3-5-14(26-2)6-4-13/h3-9H,10H2,1-2H3,(H2,20,24)(H,23,25)
InChIKeyIOSITUUKUCIXEV-UHFFFAOYSA-N
MW382.45 g/mol
LogP2.80
Rot. Bonds6

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

5-[(4-methoxybenzoyl)amino]-2-[(2-methyl-4-pyridinyl)methyl]-1,3-thiazole-4-carboxamide (PubChem CID 59453560) has the molecular formula C19H18N4O3S and a molecular weight of 382.45 g/mol. Its IUPAC name is 5-[(4-methoxybenzoyl)amino]-2-[(2-methyl-4-pyridinyl)methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name5-[(4-methoxybenzoyl)amino]-2-[(2-methyl-4-pyridinyl)methyl]-1,3-thiazole-4-carboxamide
PubChem CID59453560
Molecular FormulaC19H18N4O3S
Molecular Weight382.45 g/mol
Exact Mass382.11
IUPAC Name5-[(4-methoxybenzoyl)amino]-2-[(2-methyl-4-pyridinyl)methyl]-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(C(=O)Nc2sc(Cc3ccnc(C)c3)nc2C(N)=O)cc1
InChIInChI=1S/C19H18N4O3S/c1-11-9-12(7-8-21-11)10-15-22-16(17(20)24)19(27-15)23-18(25)13-3-5-14(26-2)6-4-13/h3-9H,10H2,1-2H3,(H2,20,24)(H,23,25)
InChIKeyIOSITUUKUCIXEV-UHFFFAOYSA-N
XLogP2.80
TPSA107.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.45
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-methoxybenzoyl)amino]-2-[(2-methyl-4-pyridinyl)methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 5-[(4-methoxybenzoyl)amino]-2-[(2-methyl-4-pyridinyl)methyl]-1,3-thiazole-4-carboxamide (CID 59453560) is 5-[(4-methoxybenzoyl)amino]-2-[(2-methyl-4-pyridinyl)methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 5-[(4-methoxybenzoyl)amino]-2-[(2-methyl-4-pyridinyl)methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 5-[(4-methoxybenzoyl)amino]-2-[(2-methyl-4-pyridinyl)methyl]-1,3-thiazole-4-carboxamide is COc1ccc(C(=O)Nc2sc(Cc3ccnc(C)c3)nc2C(N)=O)cc1.
What is the InChIKey of 5-[(4-methoxybenzoyl)amino]-2-[(2-methyl-4-pyridinyl)methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is IOSITUUKUCIXEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3S/c1-11-9-12(7-8-21-11)10-15-22-16(17(20)24)19(27-15)23-18(25)13-3-5-14(26-2)6-4-13/h3-9H,10H2,1-2H3,(H2,20,24)(H,23,25).
What are the key properties of 5-[(4-methoxybenzoyl)amino]-2-[(2-methyl-4-pyridinyl)methyl]-1,3-thiazole-4-carboxamide?
5-[(4-methoxybenzoyl)amino]-2-[(2-methyl-4-pyridinyl)methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 382.45 g/mol, XLogP of 2.80, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methoxybenzoyl)amino]-2-[(2-methyl-4-pyridinyl)methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 59453560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).