2-[2-methyl-6-[[2-methyl-5-(pyridin-3-ylamino)-1,3-thiazole-4-carbonyl]amino]-1H-pyridin-2-yl]acetic acid

C18H19N5O3S — CID 150676735

IUPAC2-[2-methyl-6-[[2-methyl-5-(pyridin-3-ylamino)-1,3-thiazole-4-carbonyl]amino]-1H-pyridin-2-yl]acetic acid
SMILESCc1nc(C(=O)NC2=CC=CC(C)(CC(=O)O)N2)c(Nc2cccnc2)s1
InChIInChI=1S/C18H19N5O3S/c1-11-20-15(17(27-11)21-12-5-4-8-19-10-12)16(26)22-13-6-3-7-18(2,23-13)9-14(24)25/h3-8,10,21,23H,9H2,1-2H3,(H,22,26)(H,24,25)
InChIKeyJHAVDOHXDRBSOI-UHFFFAOYSA-N
MW385.45 g/mol
LogP2.55
Rot. Bonds6

About 2-[2-methyl-6-[[2-methyl-5-(pyridin-3-ylamino)-1,3-thiazole-4-carbonyl]amino]-1H-pyridin-2-yl]acetic acid

2-[2-methyl-6-[[2-methyl-5-(pyridin-3-ylamino)-1,3-thiazole-4-carbonyl]amino]-1H-pyridin-2-yl]acetic acid (PubChem CID 150676735) has the molecular formula C18H19N5O3S and a molecular weight of 385.45 g/mol. Its IUPAC name is 2-[2-methyl-6-[[2-methyl-5-(pyridin-3-ylamino)-1,3-thiazole-4-carbonyl]amino]-1H-pyridin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[2-methyl-6-[[2-methyl-5-(pyridin-3-ylamino)-1,3-thiazole-4-carbonyl]amino]-1H-pyridin-2-yl]acetic acid
PubChem CID150676735
Molecular FormulaC18H19N5O3S
Molecular Weight385.45 g/mol
Exact Mass385.12
IUPAC Name2-[2-methyl-6-[[2-methyl-5-(pyridin-3-ylamino)-1,3-thiazole-4-carbonyl]amino]-1H-pyridin-2-yl]acetic acid
SMILESCc1nc(C(=O)NC2=CC=CC(C)(CC(=O)O)N2)c(Nc2cccnc2)s1
InChIInChI=1S/C18H19N5O3S/c1-11-20-15(17(27-11)21-12-5-4-8-19-10-12)16(26)22-13-6-3-7-18(2,23-13)9-14(24)25/h3-8,10,21,23H,9H2,1-2H3,(H,22,26)(H,24,25)
InChIKeyJHAVDOHXDRBSOI-UHFFFAOYSA-N
XLogP2.55
TPSA116.24 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 52.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 2-[2-methyl-6-[[2-methyl-5-(pyridin-3-ylamino)-1,3-thiazole-4-carbonyl]amino]-1H-pyridin-2-yl]acetic acid with MolForge

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Related Compounds

2-methyl-N-(4-methyl-1,3-thiazol-2-yl)-5-(pyridin-3-ylamino)-1,3-thiazole-4-carboxamide
CID 91114017
N-(5-ethyl-1,3-thiazol-2-yl)-2-methyl-5-(pyridin-3-ylamino)-1,3-thiazole-4-carboxamide
CID 90958058
[6-[[2-methyl-5-(pyridin-3-ylamino)-1,3-thiazole-4-carbonyl]amino]-2-pyridinyl]methyl acetate
CID 11560023
N-(2-chloro-4-pyridinyl)-2-methyl-5-[(4-methyl-3-pyridinyl)amino]-1,3-thiazole-4-carboxamide
CID 11523340
5-[(5-cyano-3-pyridinyl)amino]-2-methyl-N-(4-methylpyrimidin-2-yl)-1,3-thiazole-4-carboxamide
CID 11515853
5-[(5-chloro-3-pyridinyl)amino]-2-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 90997485
2-methyl-N-(6-methyl-2-pyridinyl)-5-(3-methylsulfonylanilino)-1,3-thiazole-4-carboxamide
CID 91265426
5-methyl-N-pyridin-3-yl-1,3,4-thiadiazol-2-amine
CID 2725837
5-[(5-cyano-3-pyridinyl)amino]-N-(5-fluoro-2-pyridinyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 11530468
2-[1-(pyridin-3-ylcarbamoylamino)cyclohexyl]acetic acid
CID 64701210
5-(3-chloro-5-fluoroanilino)-2-methyl-N-(2-methyl-4-pyridinyl)-1,3-thiazole-4-carboxamide
CID 91258597
4-N,6-N-diethyl-2-N-pyridin-3-yl-1,3,5-triazine-2,4,6-triamine
CID 7589444

Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-6-[[2-methyl-5-(pyridin-3-ylamino)-1,3-thiazole-4-carbonyl]amino]-1H-pyridin-2-yl]acetic acid?
The IUPAC name of 2-[2-methyl-6-[[2-methyl-5-(pyridin-3-ylamino)-1,3-thiazole-4-carbonyl]amino]-1H-pyridin-2-yl]acetic acid (CID 150676735) is 2-[2-methyl-6-[[2-methyl-5-(pyridin-3-ylamino)-1,3-thiazole-4-carbonyl]amino]-1H-pyridin-2-yl]acetic acid.
What is the SMILES notation for 2-[2-methyl-6-[[2-methyl-5-(pyridin-3-ylamino)-1,3-thiazole-4-carbonyl]amino]-1H-pyridin-2-yl]acetic acid?
The canonical SMILES for 2-[2-methyl-6-[[2-methyl-5-(pyridin-3-ylamino)-1,3-thiazole-4-carbonyl]amino]-1H-pyridin-2-yl]acetic acid is Cc1nc(C(=O)NC2=CC=CC(C)(CC(=O)O)N2)c(Nc2cccnc2)s1.
What is the InChIKey of 2-[2-methyl-6-[[2-methyl-5-(pyridin-3-ylamino)-1,3-thiazole-4-carbonyl]amino]-1H-pyridin-2-yl]acetic acid?
The InChIKey is JHAVDOHXDRBSOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O3S/c1-11-20-15(17(27-11)21-12-5-4-8-19-10-12)16(26)22-13-6-3-7-18(2,23-13)9-14(24)25/h3-8,10,21,23H,9H2,1-2H3,(H,22,26)(H,24,25).
What are the key properties of 2-[2-methyl-6-[[2-methyl-5-(pyridin-3-ylamino)-1,3-thiazole-4-carbonyl]amino]-1H-pyridin-2-yl]acetic acid?
2-[2-methyl-6-[[2-methyl-5-(pyridin-3-ylamino)-1,3-thiazole-4-carbonyl]amino]-1H-pyridin-2-yl]acetic acid has a molecular weight of 385.45 g/mol, XLogP of 2.55, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-6-[[2-methyl-5-(pyridin-3-ylamino)-1,3-thiazole-4-carbonyl]amino]-1H-pyridin-2-yl]acetic acid is sourced from PubChem (CID 150676735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).