methyl 2-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]-5-methylbenzoate

C14H15N3O3S — CID 62794085

IUPACmethyl 2-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]-5-methylbenzoate
SMILESCOC(=O)c1cc(C)ccc1NC(=O)c1sc(N)nc1C
InChIInChI=1S/C14H15N3O3S/c1-7-4-5-10(9(6-7)13(19)20-3)17-12(18)11-8(2)16-14(15)21-11/h4-6H,1-3H3,(H2,15,16)(H,17,18)
InChIKeyGZEZPPDQIVTDRQ-UHFFFAOYSA-N
MW305.36 g/mol
LogP2.38
Rot. Bonds3

About methyl 2-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]-5-methylbenzoate

methyl 2-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]-5-methylbenzoate (PubChem CID 62794085) has the molecular formula C14H15N3O3S and a molecular weight of 305.36 g/mol. Its IUPAC name is methyl 2-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]-5-methylbenzoate.

Molecular Properties

Compound Namemethyl 2-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]-5-methylbenzoate
PubChem CID62794085
Molecular FormulaC14H15N3O3S
Molecular Weight305.36 g/mol
Exact Mass305.08
IUPAC Namemethyl 2-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]-5-methylbenzoate
SMILESCOC(=O)c1cc(C)ccc1NC(=O)c1sc(N)nc1C
InChIInChI=1S/C14H15N3O3S/c1-7-4-5-10(9(6-7)13(19)20-3)17-12(18)11-8(2)16-14(15)21-11/h4-6H,1-3H3,(H2,15,16)(H,17,18)
InChIKeyGZEZPPDQIVTDRQ-UHFFFAOYSA-N
XLogP2.38
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]-4-fluorobenzoate
CID 62793074
methyl 3-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]-4-chlorobenzoate
CID 62794444
methyl 5-methyl-2-[(4-methyl-1,3-oxazole-5-carbonyl)amino]benzoate
CID 79479514
2-amino-N-(4-fluoro-2-iodophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 79766278
methyl 2-[(3-aminopyrazine-2-carbonyl)amino]-5-methylbenzoate
CID 122136744
2-amino-4-methyl-N-(2-methyl-4-propan-2-yloxyphenyl)-1,3-thiazole-5-carboxamide
CID 62792917
2-amino-N-(2-methoxy-3-pyridinyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 55115300
2-amino-N-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 62793227
N-(5-acetamido-2-methylphenyl)-2-amino-4-methyl-1,3-thiazole-5-carboxamide
CID 62794259
2-amino-4-methyl-N-(4-methyl-3-pyridinyl)-1,3-thiazole-5-carboxamide
CID 63327533
2-amino-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide
CID 735558
4-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]-2-methoxybenzoic acid
CID 107208052

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]-5-methylbenzoate?
The IUPAC name of methyl 2-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]-5-methylbenzoate (CID 62794085) is methyl 2-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]-5-methylbenzoate.
What is the SMILES notation for methyl 2-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]-5-methylbenzoate?
The canonical SMILES for methyl 2-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]-5-methylbenzoate is COC(=O)c1cc(C)ccc1NC(=O)c1sc(N)nc1C.
What is the InChIKey of methyl 2-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]-5-methylbenzoate?
The InChIKey is GZEZPPDQIVTDRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3S/c1-7-4-5-10(9(6-7)13(19)20-3)17-12(18)11-8(2)16-14(15)21-11/h4-6H,1-3H3,(H2,15,16)(H,17,18).
What are the key properties of methyl 2-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]-5-methylbenzoate?
methyl 2-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]-5-methylbenzoate has a molecular weight of 305.36 g/mol, XLogP of 2.38, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]-5-methylbenzoate is sourced from PubChem (CID 62794085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).