1-(2-carbamothioyl-5-chlorophenyl)-3-cyclopropylurea

C11H12ClN3OS — CID 64920032

IUPAC1-(2-carbamothioyl-5-chlorophenyl)-3-cyclopropylurea
SMILESNC(=S)c1ccc(Cl)cc1NC(=O)NC1CC1
InChIInChI=1S/C11H12ClN3OS/c12-6-1-4-8(10(13)17)9(5-6)15-11(16)14-7-2-3-7/h1,4-5,7H,2-3H2,(H2,13,17)(H2,14,15,16)
InChIKeyCWRQCTHNPNZBJU-UHFFFAOYSA-N
MW269.76 g/mol
LogP2.26
Rot. Bonds3

About 1-(2-carbamothioyl-5-chlorophenyl)-3-cyclopropylurea

1-(2-carbamothioyl-5-chlorophenyl)-3-cyclopropylurea (PubChem CID 64920032) has the molecular formula C11H12ClN3OS and a molecular weight of 269.76 g/mol. Its IUPAC name is 1-(2-carbamothioyl-5-chlorophenyl)-3-cyclopropylurea.

Molecular Properties

Compound Name1-(2-carbamothioyl-5-chlorophenyl)-3-cyclopropylurea
PubChem CID64920032
Molecular FormulaC11H12ClN3OS
Molecular Weight269.76 g/mol
Exact Mass269.04
IUPAC Name1-(2-carbamothioyl-5-chlorophenyl)-3-cyclopropylurea
SMILESNC(=S)c1ccc(Cl)cc1NC(=O)NC1CC1
InChIInChI=1S/C11H12ClN3OS/c12-6-1-4-8(10(13)17)9(5-6)15-11(16)14-7-2-3-7/h1,4-5,7H,2-3H2,(H2,13,17)(H2,14,15,16)
InChIKeyCWRQCTHNPNZBJU-UHFFFAOYSA-N
XLogP2.26
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.76
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-2-(cyclopropylcarbamoylamino)benzoic acid
CID 61187742
N-(2-carbamothioyl-5-chlorophenyl)cyclopropanecarboxamide
CID 64916810
1-tert-butyl-3-(2-carbamothioyl-5-chlorophenyl)urea
CID 64917889
5-chloro-2-(cyclopropylcarbamoylamino)benzoic acid
CID 61186634
1-(5-chloro-2-fluorophenyl)-3-(4-hydroxycyclohexyl)urea
CID 110890882
1-cyclopentyl-3-(2,5-dichlorophenyl)urea
CID 47192576
1-(5-chloro-2-fluorophenyl)-3-cyclohexylurea
CID 47103534
1-cyclopropyl-3-[6-(2,5-dichloroanilino)pyridazin-3-yl]urea
CID 113050834
1-(2-amino-4-chlorophenyl)-3-cyclohexylurea
CID 16771427
N-(2-carbamothioyl-5-chlorophenyl)piperidine-1-carboxamide
CID 79156263
1-(2-carbamothioyl-5-chlorophenyl)-3-(3-fluorophenyl)urea
CID 64918096
1-(2,4-dichlorophenyl)-3-(4-methylcyclohexyl)urea
CID 51421854

Frequently Asked Questions

What is the IUPAC name of 1-(2-carbamothioyl-5-chlorophenyl)-3-cyclopropylurea?
The IUPAC name of 1-(2-carbamothioyl-5-chlorophenyl)-3-cyclopropylurea (CID 64920032) is 1-(2-carbamothioyl-5-chlorophenyl)-3-cyclopropylurea.
What is the SMILES notation for 1-(2-carbamothioyl-5-chlorophenyl)-3-cyclopropylurea?
The canonical SMILES for 1-(2-carbamothioyl-5-chlorophenyl)-3-cyclopropylurea is NC(=S)c1ccc(Cl)cc1NC(=O)NC1CC1.
What is the InChIKey of 1-(2-carbamothioyl-5-chlorophenyl)-3-cyclopropylurea?
The InChIKey is CWRQCTHNPNZBJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3OS/c12-6-1-4-8(10(13)17)9(5-6)15-11(16)14-7-2-3-7/h1,4-5,7H,2-3H2,(H2,13,17)(H2,14,15,16).
What are the key properties of 1-(2-carbamothioyl-5-chlorophenyl)-3-cyclopropylurea?
1-(2-carbamothioyl-5-chlorophenyl)-3-cyclopropylurea has a molecular weight of 269.76 g/mol, XLogP of 2.26, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-carbamothioyl-5-chlorophenyl)-3-cyclopropylurea is sourced from PubChem (CID 64920032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).