(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

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Related Compounds

1-azabicyclo[2.2.2]octan-4-yl N-(5-phenyl-1,3-thiazol-4-yl)carbamate
CID 59291259
tert-butyl N-{5-[2-(4-fluorophenyl)ethynyl]-1,3-thiazol-4-yl}carbamate
CID 49793320
tert-butyl N-[2-chloro-5-(4-fluorophenyl)-1,3-thiazol-4-yl]carbamate
CID 68331245
[2-Chloro-5-[2-(4-fluorophenyl)ethynyl]-1,3-thiazol-4-yl]carbamic acid
CID 68379492
[5-[2-(4-Fluorophenyl)ethynyl]-1,3-thiazol-4-yl]carbamic acid
CID 68379509
[5-(4-Fluorophenyl)-1,3-thiazol-4-yl]carbamic acid
CID 68594954
Cyclopropylidene-[[5-(2,6-difluorophenyl)-1,3-thiazol-4-yl]amino]methanol
CID 70951168
4-Amino-5-(2-fluorophenyl)thiazole
CID 82469053
[5-[(Z)-1-(3-fluorophenyl)prop-1-enyl]-1,3-thiazol-4-yl]carbamic acid
CID 135353351
tert-butyl N-[2-bromo-5-(4-fluorophenyl)-1,3-thiazol-4-yl]carbamate
CID 142384359
tert-butyl N-[5-[1-(3-fluorophenyl)prop-1-enyl]-1,3-thiazol-4-yl]carbamate
CID 142450453
tert-butyl N-[5-[(E)-1-(3-fluorophenyl)prop-1-enyl]-1,3-thiazol-4-yl]carbamate
CID 147999295

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).