3-[4-(1-methylbenzimidazol-2-yl)-1,3-thiazol-2-yl]pentan-3-amine

C16H20N4S — CID 61336692

IUPAC3-[4-(1-methylbenzimidazol-2-yl)-1,3-thiazol-2-yl]pentan-3-amine
SMILESCCC(N)(CC)c1nc(-c2nc3ccccc3n2C)cs1
InChIInChI=1S/C16H20N4S/c1-4-16(17,5-2)15-19-12(10-21-15)14-18-11-8-6-7-9-13(11)20(14)3/h6-10H,4-5,17H2,1-3H3
InChIKeyYWUKVSVBLGXUSI-UHFFFAOYSA-N
MW300.43 g/mol
LogP3.67
Rot. Bonds4

About 3-[4-(1-methylbenzimidazol-2-yl)-1,3-thiazol-2-yl]pentan-3-amine

3-[4-(1-methylbenzimidazol-2-yl)-1,3-thiazol-2-yl]pentan-3-amine (PubChem CID 61336692) has the molecular formula C16H20N4S and a molecular weight of 300.43 g/mol. Its IUPAC name is 3-[4-(1-methylbenzimidazol-2-yl)-1,3-thiazol-2-yl]pentan-3-amine.

Molecular Properties

Compound Name3-[4-(1-methylbenzimidazol-2-yl)-1,3-thiazol-2-yl]pentan-3-amine
PubChem CID61336692
Molecular FormulaC16H20N4S
Molecular Weight300.43 g/mol
Exact Mass300.14
IUPAC Name3-[4-(1-methylbenzimidazol-2-yl)-1,3-thiazol-2-yl]pentan-3-amine
SMILESCCC(N)(CC)c1nc(-c2nc3ccccc3n2C)cs1
InChIInChI=1S/C16H20N4S/c1-4-16(17,5-2)15-19-12(10-21-15)14-18-11-8-6-7-9-13(11)20(14)3/h6-10H,4-5,17H2,1-3H3
InChIKeyYWUKVSVBLGXUSI-UHFFFAOYSA-N
XLogP3.67
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(1-methylbenzimidazol-2-yl)-1,3-thiazol-2-amine
CID 16789350
1-[4-(1-methylbenzimidazol-2-yl)-1,3-thiazol-2-yl]ethanone
CID 63379627
4-(1-methylbenzimidazol-2-yl)-N-(4-methylphenyl)-1,3-thiazol-2-amine
CID 71442196
4-(1-methylbenzimidazol-2-yl)-N-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
CID 139972742
1-methyl-2-[6-(1-methylbenzimidazol-2-yl)-4-phenyl-2-pyridinyl]benzimidazole
CID 15804948
1-methyl-2-(6-methyl-2-pyridinyl)benzimidazole
CID 71344812
4-(1-methylbenzimidazol-2-yl)-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole
CID 62541257
3-(1-methylbenzimidazol-2-yl)-4-phenylthiophen-2-amine
CID 23853277
1-methyl-2-thiophen-2-ylbenzimidazole
CID 931177
N-[4-(1-methylbenzimidazol-2-yl)-1,3-thiazol-2-yl]-2-piperidin-1-ylacetamide
CID 139222094
2-ethyl-6-(1-methylbenzimidazol-2-yl)pyridine-3-carboxylic acid
CID 116532988
2-ethyl-6-(1-methylbenzimidazol-2-yl)imidazo[2,1-b][1,3,4]thiadiazole
CID 107646243

Frequently Asked Questions

What is the IUPAC name of 3-[4-(1-methylbenzimidazol-2-yl)-1,3-thiazol-2-yl]pentan-3-amine?
The IUPAC name of 3-[4-(1-methylbenzimidazol-2-yl)-1,3-thiazol-2-yl]pentan-3-amine (CID 61336692) is 3-[4-(1-methylbenzimidazol-2-yl)-1,3-thiazol-2-yl]pentan-3-amine.
What is the SMILES notation for 3-[4-(1-methylbenzimidazol-2-yl)-1,3-thiazol-2-yl]pentan-3-amine?
The canonical SMILES for 3-[4-(1-methylbenzimidazol-2-yl)-1,3-thiazol-2-yl]pentan-3-amine is CCC(N)(CC)c1nc(-c2nc3ccccc3n2C)cs1.
What is the InChIKey of 3-[4-(1-methylbenzimidazol-2-yl)-1,3-thiazol-2-yl]pentan-3-amine?
The InChIKey is YWUKVSVBLGXUSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4S/c1-4-16(17,5-2)15-19-12(10-21-15)14-18-11-8-6-7-9-13(11)20(14)3/h6-10H,4-5,17H2,1-3H3.
What are the key properties of 3-[4-(1-methylbenzimidazol-2-yl)-1,3-thiazol-2-yl]pentan-3-amine?
3-[4-(1-methylbenzimidazol-2-yl)-1,3-thiazol-2-yl]pentan-3-amine has a molecular weight of 300.43 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1-methylbenzimidazol-2-yl)-1,3-thiazol-2-yl]pentan-3-amine is sourced from PubChem (CID 61336692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).