(5-phenyl-1,3-thiazol-4-yl)carbamic acid;hydrochloride

C10H9ClN2O2S — CID 68594748

IUPAC(5-phenyl-1,3-thiazol-4-yl)carbamic acid;hydrochloride
SMILESCl.O=C(O)Nc1ncsc1-c1ccccc1
InChIInChI=1S/C10H8N2O2S.ClH/c13-10(14)12-9-8(15-6-11-9)7-4-2-1-3-5-7;/h1-6,12H,(H,13,14);1H
InChIKeyCYMAGAUQZKZPOS-UHFFFAOYSA-N
MW256.71 g/mol
LogP3.32
Rot. Bonds2

About (5-phenyl-1,3-thiazol-4-yl)carbamic acid;hydrochloride

(5-phenyl-1,3-thiazol-4-yl)carbamic acid;hydrochloride (PubChem CID 68594748) has the molecular formula C10H9ClN2O2S and a molecular weight of 256.71 g/mol. Its IUPAC name is (5-phenyl-1,3-thiazol-4-yl)carbamic acid;hydrochloride.

Molecular Properties

Compound Name(5-phenyl-1,3-thiazol-4-yl)carbamic acid;hydrochloride
PubChem CID68594748
Molecular FormulaC10H9ClN2O2S
Molecular Weight256.71 g/mol
Exact Mass256.01
IUPAC Name(5-phenyl-1,3-thiazol-4-yl)carbamic acid;hydrochloride
SMILESCl.O=C(O)Nc1ncsc1-c1ccccc1
InChIInChI=1S/C10H8N2O2S.ClH/c13-10(14)12-9-8(15-6-11-9)7-4-2-1-3-5-7;/h1-6,12H,(H,13,14);1H
InChIKeyCYMAGAUQZKZPOS-UHFFFAOYSA-N
XLogP3.32
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.71
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (5-phenyl-1,3-thiazol-4-yl)carbamic acid;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5-phenyl-1,3-thiazol-4-yl)carbamic acid;hydrochloride?
The IUPAC name of (5-phenyl-1,3-thiazol-4-yl)carbamic acid;hydrochloride (CID 68594748) is (5-phenyl-1,3-thiazol-4-yl)carbamic acid;hydrochloride.
What is the SMILES notation for (5-phenyl-1,3-thiazol-4-yl)carbamic acid;hydrochloride?
The canonical SMILES for (5-phenyl-1,3-thiazol-4-yl)carbamic acid;hydrochloride is Cl.O=C(O)Nc1ncsc1-c1ccccc1.
What is the InChIKey of (5-phenyl-1,3-thiazol-4-yl)carbamic acid;hydrochloride?
The InChIKey is CYMAGAUQZKZPOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O2S.ClH/c13-10(14)12-9-8(15-6-11-9)7-4-2-1-3-5-7;/h1-6,12H,(H,13,14);1H.
What are the key properties of (5-phenyl-1,3-thiazol-4-yl)carbamic acid;hydrochloride?
(5-phenyl-1,3-thiazol-4-yl)carbamic acid;hydrochloride has a molecular weight of 256.71 g/mol, XLogP of 3.32, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-phenyl-1,3-thiazol-4-yl)carbamic acid;hydrochloride is sourced from PubChem (CID 68594748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).