3-(carbamothioylamino)-N-cyclopropyl-4-imidazol-1-ylbenzamide

C14H15N5OS — CID 169357814

IUPAC3-(carbamothioylamino)-N-cyclopropyl-4-imidazol-1-ylbenzamide
SMILESNC(=S)Nc1cc(C(=O)NC2CC2)ccc1-n1ccnc1
InChIInChI=1S/C14H15N5OS/c15-14(21)18-11-7-9(13(20)17-10-2-3-10)1-4-12(11)19-6-5-16-8-19/h1,4-8,10H,2-3H2,(H,17,20)(H3,15,18,21)
InChIKeyZOESABHAGWJSLP-UHFFFAOYSA-N
MW301.38 g/mol
LogP1.42
Rot. Bonds4

About 3-(carbamothioylamino)-N-cyclopropyl-4-imidazol-1-ylbenzamide

3-(carbamothioylamino)-N-cyclopropyl-4-imidazol-1-ylbenzamide (PubChem CID 169357814) has the molecular formula C14H15N5OS and a molecular weight of 301.38 g/mol. Its IUPAC name is 3-(carbamothioylamino)-N-cyclopropyl-4-imidazol-1-ylbenzamide.

Molecular Properties

Compound Name3-(carbamothioylamino)-N-cyclopropyl-4-imidazol-1-ylbenzamide
PubChem CID169357814
Molecular FormulaC14H15N5OS
Molecular Weight301.38 g/mol
Exact Mass301.10
IUPAC Name3-(carbamothioylamino)-N-cyclopropyl-4-imidazol-1-ylbenzamide
SMILESNC(=S)Nc1cc(C(=O)NC2CC2)ccc1-n1ccnc1
InChIInChI=1S/C14H15N5OS/c15-14(21)18-11-7-9(13(20)17-10-2-3-10)1-4-12(11)19-6-5-16-8-19/h1,4-8,10H,2-3H2,(H,17,20)(H3,15,18,21)
InChIKeyZOESABHAGWJSLP-UHFFFAOYSA-N
XLogP1.42
TPSA84.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.38
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(carbamothioylamino)-N-cyclopropyl-4-imidazol-1-ylbenzamide 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

N-cyclopropyl-4-imidazol-1-yl-3-pyrrol-1-ylbenzamide
CID 92576982
3-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)-N-cyclopropyl-4-imidazol-1-ylbenzamide
CID 169329064
N-(1,1-dioxothian-4-yl)-4-imidazol-1-yl-3-nitrobenzamide
CID 60512004
N-[1-(furan-3-carbonyl)piperidin-4-yl]-4-imidazol-1-yl-3-nitrobenzamide
CID 39389955
4-imidazol-1-yl-3-nitro-N-pyrrolidin-3-ylbenzamide
CID 119453564
4-imidazol-1-yl-N-piperidin-4-ylbenzamide
CID 14664369
2-imidazol-1-yl-N-[4-(2-methoxyethoxy)cyclohexyl]pyridine-4-carboxamide
CID 156885753
N-cyclopropyl-3-methylbenzimidazole-5-carboxamide
CID 110469101
N-[2-imidazol-1-yl-5-(trifluoromethyl)phenyl]cyclobutanecarboxamide
CID 172916327
3-amino-4-imidazol-1-ylbenzamide
CID 43448488
2,6-di(imidazol-1-yl)-N-[4-(2-methoxyethoxy)cyclohexyl]pyridine-4-carboxamide
CID 156885976
N-(2-imidazol-1-ylphenyl)cyclobutanecarboxamide
CID 12911535

Frequently Asked Questions

What is the IUPAC name of 3-(carbamothioylamino)-N-cyclopropyl-4-imidazol-1-ylbenzamide?
The IUPAC name of 3-(carbamothioylamino)-N-cyclopropyl-4-imidazol-1-ylbenzamide (CID 169357814) is 3-(carbamothioylamino)-N-cyclopropyl-4-imidazol-1-ylbenzamide.
What is the SMILES notation for 3-(carbamothioylamino)-N-cyclopropyl-4-imidazol-1-ylbenzamide?
The canonical SMILES for 3-(carbamothioylamino)-N-cyclopropyl-4-imidazol-1-ylbenzamide is NC(=S)Nc1cc(C(=O)NC2CC2)ccc1-n1ccnc1.
What is the InChIKey of 3-(carbamothioylamino)-N-cyclopropyl-4-imidazol-1-ylbenzamide?
The InChIKey is ZOESABHAGWJSLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5OS/c15-14(21)18-11-7-9(13(20)17-10-2-3-10)1-4-12(11)19-6-5-16-8-19/h1,4-8,10H,2-3H2,(H,17,20)(H3,15,18,21).
What are the key properties of 3-(carbamothioylamino)-N-cyclopropyl-4-imidazol-1-ylbenzamide?
3-(carbamothioylamino)-N-cyclopropyl-4-imidazol-1-ylbenzamide has a molecular weight of 301.38 g/mol, XLogP of 1.42, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(carbamothioylamino)-N-cyclopropyl-4-imidazol-1-ylbenzamide is sourced from PubChem (CID 169357814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).