[4-(5-chloro-1-cyclopropylbenzimidazol-2-yl)-1,3-thiazol-2-yl]methanamine

C14H13ClN4S — CID 66379118

IUPAC[4-(5-chloro-1-cyclopropylbenzimidazol-2-yl)-1,3-thiazol-2-yl]methanamine
SMILESNCc1nc(-c2nc3cc(Cl)ccc3n2C2CC2)cs1
InChIInChI=1S/C14H13ClN4S/c15-8-1-4-12-10(5-8)18-14(19(12)9-2-3-9)11-7-20-13(6-16)17-11/h1,4-5,7,9H,2-3,6,16H2
InChIKeyWAMXRXFDEGYROP-UHFFFAOYSA-N
MW304.81 g/mol
LogP3.61
Rot. Bonds3

About [4-(5-chloro-1-cyclopropylbenzimidazol-2-yl)-1,3-thiazol-2-yl]methanamine

[4-(5-chloro-1-cyclopropylbenzimidazol-2-yl)-1,3-thiazol-2-yl]methanamine (PubChem CID 66379118) has the molecular formula C14H13ClN4S and a molecular weight of 304.81 g/mol. Its IUPAC name is [4-(5-chloro-1-cyclopropylbenzimidazol-2-yl)-1,3-thiazol-2-yl]methanamine.

Molecular Properties

Compound Name[4-(5-chloro-1-cyclopropylbenzimidazol-2-yl)-1,3-thiazol-2-yl]methanamine
PubChem CID66379118
Molecular FormulaC14H13ClN4S
Molecular Weight304.81 g/mol
Exact Mass304.05
IUPAC Name[4-(5-chloro-1-cyclopropylbenzimidazol-2-yl)-1,3-thiazol-2-yl]methanamine
SMILESNCc1nc(-c2nc3cc(Cl)ccc3n2C2CC2)cs1
InChIInChI=1S/C14H13ClN4S/c15-8-1-4-12-10(5-8)18-14(19(12)9-2-3-9)11-7-20-13(6-16)17-11/h1,4-5,7,9H,2-3,6,16H2
InChIKeyWAMXRXFDEGYROP-UHFFFAOYSA-N
XLogP3.61
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.81
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(5-chloro-1-cyclopropylbenzimidazol-2-yl)-1,3-thiazol-2-yl]methanamine?
The IUPAC name of [4-(5-chloro-1-cyclopropylbenzimidazol-2-yl)-1,3-thiazol-2-yl]methanamine (CID 66379118) is [4-(5-chloro-1-cyclopropylbenzimidazol-2-yl)-1,3-thiazol-2-yl]methanamine.
What is the SMILES notation for [4-(5-chloro-1-cyclopropylbenzimidazol-2-yl)-1,3-thiazol-2-yl]methanamine?
The canonical SMILES for [4-(5-chloro-1-cyclopropylbenzimidazol-2-yl)-1,3-thiazol-2-yl]methanamine is NCc1nc(-c2nc3cc(Cl)ccc3n2C2CC2)cs1.
What is the InChIKey of [4-(5-chloro-1-cyclopropylbenzimidazol-2-yl)-1,3-thiazol-2-yl]methanamine?
The InChIKey is WAMXRXFDEGYROP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN4S/c15-8-1-4-12-10(5-8)18-14(19(12)9-2-3-9)11-7-20-13(6-16)17-11/h1,4-5,7,9H,2-3,6,16H2.
What are the key properties of [4-(5-chloro-1-cyclopropylbenzimidazol-2-yl)-1,3-thiazol-2-yl]methanamine?
[4-(5-chloro-1-cyclopropylbenzimidazol-2-yl)-1,3-thiazol-2-yl]methanamine has a molecular weight of 304.81 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-chloro-1-cyclopropylbenzimidazol-2-yl)-1,3-thiazol-2-yl]methanamine is sourced from PubChem (CID 66379118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).