[2-(5-methyl-1,3-thiazol-2-yl)phenyl]carbamic acid

C11H10N2O2S — CID 142858663

IUPAC[2-(5-methyl-1,3-thiazol-2-yl)phenyl]carbamic acid
SMILESCc1cnc(-c2ccccc2NC(=O)O)s1
InChIInChI=1S/C11H10N2O2S/c1-7-6-12-10(16-7)8-4-2-3-5-9(8)13-11(14)15/h2-6,13H,1H3,(H,14,15)
InChIKeyJDIHSBUEHHFWTQ-UHFFFAOYSA-N
MW234.28 g/mol
LogP3.21
Rot. Bonds2

About [2-(5-methyl-1,3-thiazol-2-yl)phenyl]carbamic acid

[2-(5-methyl-1,3-thiazol-2-yl)phenyl]carbamic acid (PubChem CID 142858663) has the molecular formula C11H10N2O2S and a molecular weight of 234.28 g/mol. Its IUPAC name is [2-(5-methyl-1,3-thiazol-2-yl)phenyl]carbamic acid.

Molecular Properties

Compound Name[2-(5-methyl-1,3-thiazol-2-yl)phenyl]carbamic acid
PubChem CID142858663
Molecular FormulaC11H10N2O2S
Molecular Weight234.28 g/mol
Exact Mass234.05
IUPAC Name[2-(5-methyl-1,3-thiazol-2-yl)phenyl]carbamic acid
SMILESCc1cnc(-c2ccccc2NC(=O)O)s1
InChIInChI=1S/C11H10N2O2S/c1-7-6-12-10(16-7)8-4-2-3-5-9(8)13-11(14)15/h2-6,13H,1H3,(H,14,15)
InChIKeyJDIHSBUEHHFWTQ-UHFFFAOYSA-N
XLogP3.21
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 174385651
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(6-methyl-4-phenyl-3-pyridinyl)carbamic acid
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N-[2-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]acetamide
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N-(5-methyl-1,3-thiazol-2-yl)-2-phenoxypropanamide
CID 4812532
N-[2-(5-methylthiophen-2-yl)phenyl]prop-2-enamide
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N-[2-(5-phenyl-1,3,4-thiadiazol-2-yl)phenyl]benzamide
CID 12804212
[2-[[4-[5-(hydroxymethyl)-1,3-thiazol-2-yl]benzoyl]amino]phenyl]carbamic acid
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Frequently Asked Questions

What is the IUPAC name of [2-(5-methyl-1,3-thiazol-2-yl)phenyl]carbamic acid?
The IUPAC name of [2-(5-methyl-1,3-thiazol-2-yl)phenyl]carbamic acid (CID 142858663) is [2-(5-methyl-1,3-thiazol-2-yl)phenyl]carbamic acid.
What is the SMILES notation for [2-(5-methyl-1,3-thiazol-2-yl)phenyl]carbamic acid?
The canonical SMILES for [2-(5-methyl-1,3-thiazol-2-yl)phenyl]carbamic acid is Cc1cnc(-c2ccccc2NC(=O)O)s1.
What is the InChIKey of [2-(5-methyl-1,3-thiazol-2-yl)phenyl]carbamic acid?
The InChIKey is JDIHSBUEHHFWTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2S/c1-7-6-12-10(16-7)8-4-2-3-5-9(8)13-11(14)15/h2-6,13H,1H3,(H,14,15).
What are the key properties of [2-(5-methyl-1,3-thiazol-2-yl)phenyl]carbamic acid?
[2-(5-methyl-1,3-thiazol-2-yl)phenyl]carbamic acid has a molecular weight of 234.28 g/mol, XLogP of 3.21, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-methyl-1,3-thiazol-2-yl)phenyl]carbamic acid is sourced from PubChem (CID 142858663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).