[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-cyclopropylamino]carbamic acid

C13H12ClN3O2S — CID 175396592

IUPAC[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-cyclopropylamino]carbamic acid
SMILESO=C(O)NN(c1nc(-c2ccccc2Cl)cs1)C1CC1
InChIInChI=1S/C13H12ClN3O2S/c14-10-4-2-1-3-9(10)11-7-20-12(15-11)17(8-5-6-8)16-13(18)19/h1-4,7-8,16H,5-6H2,(H,18,19)
InChIKeyMCLVQHPJNOLGQC-UHFFFAOYSA-N
MW309.78 g/mol
LogP3.61
Rot. Bonds4

About [[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-cyclopropylamino]carbamic acid

[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-cyclopropylamino]carbamic acid (PubChem CID 175396592) has the molecular formula C13H12ClN3O2S and a molecular weight of 309.78 g/mol. Its IUPAC name is [[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-cyclopropylamino]carbamic acid.

Molecular Properties

Compound Name[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-cyclopropylamino]carbamic acid
PubChem CID175396592
Molecular FormulaC13H12ClN3O2S
Molecular Weight309.78 g/mol
Exact Mass309.03
IUPAC Name[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-cyclopropylamino]carbamic acid
SMILESO=C(O)NN(c1nc(-c2ccccc2Cl)cs1)C1CC1
InChIInChI=1S/C13H12ClN3O2S/c14-10-4-2-1-3-9(10)11-7-20-12(15-11)17(8-5-6-8)16-13(18)19/h1-4,7-8,16H,5-6H2,(H,18,19)
InChIKeyMCLVQHPJNOLGQC-UHFFFAOYSA-N
XLogP3.61
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.78
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-benzyl-4-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-cyclopropylamino]-4-oxobutanoic acid
CID 67210175
(1R,6S)-6-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-methylcarbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 67209605
1-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]ethanone
CID 46785541
1-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-1-methylhydrazine
CID 148913640
2-[amino-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]amino]ethanol
CID 145410070
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-hydroxycyclopentane-1-carboxamide
CID 110015753
(3S)-4-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-methylamino]-3-(2,3-dihydro-1H-inden-2-yl)-4-oxobutanoic acid
CID 53302462
2-[[3-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]amino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid
CID 122061500
4-(2-chlorophenyl)-1,3-thiazole-2-carboxamide
CID 19375958
2-[[4-[[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-ethylamino]methyl]cyclohexa-1,3-diene-1-carbonyl]amino]acetic acid
CID 143259370
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 23860914
3-[cyclopentyl-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]amino]propanoic acid
CID 59520233

Frequently Asked Questions

What is the IUPAC name of [[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-cyclopropylamino]carbamic acid?
The IUPAC name of [[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-cyclopropylamino]carbamic acid (CID 175396592) is [[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-cyclopropylamino]carbamic acid.
What is the SMILES notation for [[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-cyclopropylamino]carbamic acid?
The canonical SMILES for [[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-cyclopropylamino]carbamic acid is O=C(O)NN(c1nc(-c2ccccc2Cl)cs1)C1CC1.
What is the InChIKey of [[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-cyclopropylamino]carbamic acid?
The InChIKey is MCLVQHPJNOLGQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O2S/c14-10-4-2-1-3-9(10)11-7-20-12(15-11)17(8-5-6-8)16-13(18)19/h1-4,7-8,16H,5-6H2,(H,18,19).
What are the key properties of [[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-cyclopropylamino]carbamic acid?
[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-cyclopropylamino]carbamic acid has a molecular weight of 309.78 g/mol, XLogP of 3.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-cyclopropylamino]carbamic acid is sourced from PubChem (CID 175396592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).