1-[4-(1H-benzimidazol-2-yl)-1,3-thiazol-5-yl]-3-cyclopropylurea

C14H13N5OS — CID 122179934

IUPAC1-[4-(1H-benzimidazol-2-yl)-1,3-thiazol-5-yl]-3-cyclopropylurea
SMILESO=C(Nc1scnc1-c1nc2ccccc2[nH]1)NC1CC1
InChIInChI=1S/C14H13N5OS/c20-14(16-8-5-6-8)19-13-11(15-7-21-13)12-17-9-3-1-2-4-10(9)18-12/h1-4,7-8H,5-6H2,(H,17,18)(H2,16,19,20)
InChIKeyOJRXRGXLOGKLJB-UHFFFAOYSA-N
MW299.36 g/mol
LogP2.97
Rot. Bonds3

About 1-[4-(1H-benzimidazol-2-yl)-1,3-thiazol-5-yl]-3-cyclopropylurea

1-[4-(1H-benzimidazol-2-yl)-1,3-thiazol-5-yl]-3-cyclopropylurea (PubChem CID 122179934) has the molecular formula C14H13N5OS and a molecular weight of 299.36 g/mol. Its IUPAC name is 1-[4-(1H-benzimidazol-2-yl)-1,3-thiazol-5-yl]-3-cyclopropylurea.

Molecular Properties

Compound Name1-[4-(1H-benzimidazol-2-yl)-1,3-thiazol-5-yl]-3-cyclopropylurea
PubChem CID122179934
Molecular FormulaC14H13N5OS
Molecular Weight299.36 g/mol
Exact Mass299.08
IUPAC Name1-[4-(1H-benzimidazol-2-yl)-1,3-thiazol-5-yl]-3-cyclopropylurea
SMILESO=C(Nc1scnc1-c1nc2ccccc2[nH]1)NC1CC1
InChIInChI=1S/C14H13N5OS/c20-14(16-8-5-6-8)19-13-11(15-7-21-13)12-17-9-3-1-2-4-10(9)18-12/h1-4,7-8H,5-6H2,(H,17,18)(H2,16,19,20)
InChIKeyOJRXRGXLOGKLJB-UHFFFAOYSA-N
XLogP2.97
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[4-(1H-benzimidazol-2-yl)-1,3-thiazol-5-yl]-3-cyclopropylurea with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1H-benzimidazol-2-yl)-1,3-thiazol-5-yl]-3-cyclopropylurea?
The IUPAC name of 1-[4-(1H-benzimidazol-2-yl)-1,3-thiazol-5-yl]-3-cyclopropylurea (CID 122179934) is 1-[4-(1H-benzimidazol-2-yl)-1,3-thiazol-5-yl]-3-cyclopropylurea.
What is the SMILES notation for 1-[4-(1H-benzimidazol-2-yl)-1,3-thiazol-5-yl]-3-cyclopropylurea?
The canonical SMILES for 1-[4-(1H-benzimidazol-2-yl)-1,3-thiazol-5-yl]-3-cyclopropylurea is O=C(Nc1scnc1-c1nc2ccccc2[nH]1)NC1CC1.
What is the InChIKey of 1-[4-(1H-benzimidazol-2-yl)-1,3-thiazol-5-yl]-3-cyclopropylurea?
The InChIKey is OJRXRGXLOGKLJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5OS/c20-14(16-8-5-6-8)19-13-11(15-7-21-13)12-17-9-3-1-2-4-10(9)18-12/h1-4,7-8H,5-6H2,(H,17,18)(H2,16,19,20).
What are the key properties of 1-[4-(1H-benzimidazol-2-yl)-1,3-thiazol-5-yl]-3-cyclopropylurea?
1-[4-(1H-benzimidazol-2-yl)-1,3-thiazol-5-yl]-3-cyclopropylurea has a molecular weight of 299.36 g/mol, XLogP of 2.97, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1H-benzimidazol-2-yl)-1,3-thiazol-5-yl]-3-cyclopropylurea is sourced from PubChem (CID 122179934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).