[2-methyl-4-(1,3-thiazol-2-ylcarbamoyl)phenyl]carbamic acid

C12H11N3O3S — CID 87845278

IUPAC[2-methyl-4-(1,3-thiazol-2-ylcarbamoyl)phenyl]carbamic acid
SMILESCc1cc(C(=O)Nc2nccs2)ccc1NC(=O)O
InChIInChI=1S/C12H11N3O3S/c1-7-6-8(2-3-9(7)14-12(17)18)10(16)15-11-13-4-5-19-11/h2-6,14H,1H3,(H,17,18)(H,13,15,16)
InChIKeyPDTMSORGTPDKNK-UHFFFAOYSA-N
MW277.31 g/mol
LogP2.79
Rot. Bonds3

About [2-methyl-4-(1,3-thiazol-2-ylcarbamoyl)phenyl]carbamic acid

[2-methyl-4-(1,3-thiazol-2-ylcarbamoyl)phenyl]carbamic acid (PubChem CID 87845278) has the molecular formula C12H11N3O3S and a molecular weight of 277.31 g/mol. Its IUPAC name is [2-methyl-4-(1,3-thiazol-2-ylcarbamoyl)phenyl]carbamic acid.

Molecular Properties

Compound Name[2-methyl-4-(1,3-thiazol-2-ylcarbamoyl)phenyl]carbamic acid
PubChem CID87845278
Molecular FormulaC12H11N3O3S
Molecular Weight277.31 g/mol
Exact Mass277.05
IUPAC Name[2-methyl-4-(1,3-thiazol-2-ylcarbamoyl)phenyl]carbamic acid
SMILESCc1cc(C(=O)Nc2nccs2)ccc1NC(=O)O
InChIInChI=1S/C12H11N3O3S/c1-7-6-8(2-3-9(7)14-12(17)18)10(16)15-11-13-4-5-19-11/h2-6,14H,1H3,(H,17,18)(H,13,15,16)
InChIKeyPDTMSORGTPDKNK-UHFFFAOYSA-N
XLogP2.79
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-4-(3-phenylpropanoylamino)-N-(1,3-thiazol-2-yl)benzamide
CID 87646961
3-methyl-4-(3-phenylpropylamino)-N-(1,3-thiazol-2-yl)benzamide
CID 175248146
3-amino-4-methyl-N-(1,3-thiazol-2-yl)benzamide
CID 16771043
3,4-dimethyl-N-[3-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide
CID 9321514
4-methyl-3-[(4-nitrobenzoyl)amino]-N-(1,3-thiazol-2-yl)benzamide
CID 22636158
N-(1,3-thiazol-2-yl)benzamide;hydrochloride
CID 141066064
2,4-dimethyl-N-(1,3-thiazol-2-yl)benzamide
CID 953286
2-methyl-N-(1,3-thiazol-2-yl)-1,3-benzoxazole-6-carboxamide
CID 110765316
4-amino-3-chloro-5-methyl-N-(1,3-thiazol-2-yl)benzamide
CID 86046988
4-(butanoylamino)-3-chloro-N-(1,3-thiazol-2-yl)benzamide
CID 11347887
3-hydroxy-N-(1,3-thiazol-2-yl)benzamide
CID 17362164
2-methylsulfanyl-N-(1,3-thiazol-2-yl)pyridine-4-carboxamide
CID 60564390

Frequently Asked Questions

What is the IUPAC name of [2-methyl-4-(1,3-thiazol-2-ylcarbamoyl)phenyl]carbamic acid?
The IUPAC name of [2-methyl-4-(1,3-thiazol-2-ylcarbamoyl)phenyl]carbamic acid (CID 87845278) is [2-methyl-4-(1,3-thiazol-2-ylcarbamoyl)phenyl]carbamic acid.
What is the SMILES notation for [2-methyl-4-(1,3-thiazol-2-ylcarbamoyl)phenyl]carbamic acid?
The canonical SMILES for [2-methyl-4-(1,3-thiazol-2-ylcarbamoyl)phenyl]carbamic acid is Cc1cc(C(=O)Nc2nccs2)ccc1NC(=O)O.
What is the InChIKey of [2-methyl-4-(1,3-thiazol-2-ylcarbamoyl)phenyl]carbamic acid?
The InChIKey is PDTMSORGTPDKNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O3S/c1-7-6-8(2-3-9(7)14-12(17)18)10(16)15-11-13-4-5-19-11/h2-6,14H,1H3,(H,17,18)(H,13,15,16).
What are the key properties of [2-methyl-4-(1,3-thiazol-2-ylcarbamoyl)phenyl]carbamic acid?
[2-methyl-4-(1,3-thiazol-2-ylcarbamoyl)phenyl]carbamic acid has a molecular weight of 277.31 g/mol, XLogP of 2.79, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-4-(1,3-thiazol-2-ylcarbamoyl)phenyl]carbamic acid is sourced from PubChem (CID 87845278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).