S-(4,5-dihydro-1H-imidazol-2-yl) N-(4-chlorophenyl)carbamothioate

C10H10ClN3OS — CID 117060431

IUPACS-(4,5-dihydro-1H-imidazol-2-yl) N-(4-chlorophenyl)carbamothioate
SMILESO=C(Nc1ccc(Cl)cc1)SC1=NCCN1
InChIInChI=1S/C10H10ClN3OS/c11-7-1-3-8(4-2-7)14-10(15)16-9-12-5-6-13-9/h1-4H,5-6H2,(H,12,13)(H,14,15)
InChIKeyGZBVTRHQTFCJOB-UHFFFAOYSA-N
MW255.73 g/mol
LogP2.56
Rot. Bonds1

About S-(4,5-dihydro-1H-imidazol-2-yl) N-(4-chlorophenyl)carbamothioate

S-(4,5-dihydro-1H-imidazol-2-yl) N-(4-chlorophenyl)carbamothioate (PubChem CID 117060431) has the molecular formula C10H10ClN3OS and a molecular weight of 255.73 g/mol. Its IUPAC name is S-(4,5-dihydro-1H-imidazol-2-yl) N-(4-chlorophenyl)carbamothioate.

Molecular Properties

Compound NameS-(4,5-dihydro-1H-imidazol-2-yl) N-(4-chlorophenyl)carbamothioate
PubChem CID117060431
Molecular FormulaC10H10ClN3OS
Molecular Weight255.73 g/mol
Exact Mass255.02
IUPAC NameS-(4,5-dihydro-1H-imidazol-2-yl) N-(4-chlorophenyl)carbamothioate
SMILESO=C(Nc1ccc(Cl)cc1)SC1=NCCN1
InChIInChI=1S/C10H10ClN3OS/c11-7-1-3-8(4-2-7)14-10(15)16-9-12-5-6-13-9/h1-4H,5-6H2,(H,12,13)(H,14,15)
InChIKeyGZBVTRHQTFCJOB-UHFFFAOYSA-N
XLogP2.56
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.73
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}

Analyze S-(4,5-dihydro-1H-imidazol-2-yl) N-(4-chlorophenyl)carbamothioate with MolForge

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

Launch Full Analysis

Related Compounds

3-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-phenylpropanamide
CID 134064573
4-chloro-N-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]benzamide
CID 82239946
N-(4-chlorophenyl)-2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]acetamide
CID 127037567
1-(5-bromo-2,3,4,5-tetrahydropyridin-6-yl)-3-(4-chlorophenyl)urea
CID 165350444
2,5-dichloro-1-N,4-N-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]benzene-1,4-dicarboxamide;dihydrochloride
CID 131880616
N-(4-chlorophenyl)-2-oxopropanamide
CID 4252596
S-(4,6,7,8,9,10-hexahydro-[1,2,4]triazino[4,3-a]azepin-3-yl) N-(4-chlorophenyl)carbamothioate
CID 100818865
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)acetamide;hydrochloride
CID 45133479
1-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-[2-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]carbamoylamino]phenyl]urea;dihydrochloride
CID 131876826
1-(4-chlorophenyl)-3-(4,5-dihydro-1,3-thiazol-2-yl)urea
CID 840553
2-chloro-4-(4,5-dihydro-1H-imidazol-2-ylamino)-N-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]benzamide
CID 122189110
N-(4-chlorophenyl)pyrimidine-2-carboxamide
CID 56724074

Frequently Asked Questions

What is the IUPAC name of S-(4,5-dihydro-1H-imidazol-2-yl) N-(4-chlorophenyl)carbamothioate?
The IUPAC name of S-(4,5-dihydro-1H-imidazol-2-yl) N-(4-chlorophenyl)carbamothioate (CID 117060431) is S-(4,5-dihydro-1H-imidazol-2-yl) N-(4-chlorophenyl)carbamothioate.
What is the SMILES notation for S-(4,5-dihydro-1H-imidazol-2-yl) N-(4-chlorophenyl)carbamothioate?
The canonical SMILES for S-(4,5-dihydro-1H-imidazol-2-yl) N-(4-chlorophenyl)carbamothioate is O=C(Nc1ccc(Cl)cc1)SC1=NCCN1.
What is the InChIKey of S-(4,5-dihydro-1H-imidazol-2-yl) N-(4-chlorophenyl)carbamothioate?
The InChIKey is GZBVTRHQTFCJOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3OS/c11-7-1-3-8(4-2-7)14-10(15)16-9-12-5-6-13-9/h1-4H,5-6H2,(H,12,13)(H,14,15).
What are the key properties of S-(4,5-dihydro-1H-imidazol-2-yl) N-(4-chlorophenyl)carbamothioate?
S-(4,5-dihydro-1H-imidazol-2-yl) N-(4-chlorophenyl)carbamothioate has a molecular weight of 255.73 g/mol, XLogP of 2.56, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for S-(4,5-dihydro-1H-imidazol-2-yl) N-(4-chlorophenyl)carbamothioate is sourced from PubChem (CID 117060431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).