2-[4-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)-1,3-thiazol-2-yl]ethanamine

C15H15FN4S — CID 66380200

IUPAC2-[4-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)-1,3-thiazol-2-yl]ethanamine
SMILESNCCc1nc(-c2nc3ccc(F)cc3n2C2CC2)cs1
InChIInChI=1S/C15H15FN4S/c16-9-1-4-11-13(7-9)20(10-2-3-10)15(19-11)12-8-21-14(18-12)5-6-17/h1,4,7-8,10H,2-3,5-6,17H2
InChIKeyQNIRQIUQDOGACN-UHFFFAOYSA-N
MW302.38 g/mol
LogP3.13
Rot. Bonds4

About 2-[4-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)-1,3-thiazol-2-yl]ethanamine

2-[4-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)-1,3-thiazol-2-yl]ethanamine (PubChem CID 66380200) has the molecular formula C15H15FN4S and a molecular weight of 302.38 g/mol. Its IUPAC name is 2-[4-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)-1,3-thiazol-2-yl]ethanamine.

Molecular Properties

Compound Name2-[4-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)-1,3-thiazol-2-yl]ethanamine
PubChem CID66380200
Molecular FormulaC15H15FN4S
Molecular Weight302.38 g/mol
Exact Mass302.10
IUPAC Name2-[4-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)-1,3-thiazol-2-yl]ethanamine
SMILESNCCc1nc(-c2nc3ccc(F)cc3n2C2CC2)cs1
InChIInChI=1S/C15H15FN4S/c16-9-1-4-11-13(7-9)20(10-2-3-10)15(19-11)12-8-21-14(18-12)5-6-17/h1,4,7-8,10H,2-3,5-6,17H2
InChIKeyQNIRQIUQDOGACN-UHFFFAOYSA-N
XLogP3.13
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(5-chloro-1-cyclopropylbenzimidazol-2-yl)-1,3-thiazol-2-yl]ethanamine
CID 66379416
[4-(5-chloro-1-cyclopropylbenzimidazol-2-yl)-1,3-thiazol-2-yl]methanamine
CID 66379118
[4-(1-ethyl-6-fluorobenzimidazol-2-yl)-1,3-thiazol-2-yl]methanamine
CID 66380869
6-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)hexan-1-amine
CID 62378467
5-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)thiophen-2-amine
CID 62387448
4-[(1-cyclopropyl-6-fluorobenzimidazol-2-yl)methyl]-1,3-thiazol-2-amine
CID 62376570
2-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)-2-methylpropan-1-amine
CID 115427820
2-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)-4-fluorophenol
CID 137011267
4-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)-3-methyl-1,2-thiazol-5-amine
CID 79397659
3-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)-5-ethylthiophen-2-amine
CID 63614015
4-(1-cyclopropylbenzimidazol-2-yl)-1,3-thiazol-2-amine
CID 62794484
2-bromo-1-cyclopropyl-6-fluorobenzimidazole
CID 83844057

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)-1,3-thiazol-2-yl]ethanamine?
The IUPAC name of 2-[4-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)-1,3-thiazol-2-yl]ethanamine (CID 66380200) is 2-[4-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)-1,3-thiazol-2-yl]ethanamine.
What is the SMILES notation for 2-[4-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)-1,3-thiazol-2-yl]ethanamine?
The canonical SMILES for 2-[4-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)-1,3-thiazol-2-yl]ethanamine is NCCc1nc(-c2nc3ccc(F)cc3n2C2CC2)cs1.
What is the InChIKey of 2-[4-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)-1,3-thiazol-2-yl]ethanamine?
The InChIKey is QNIRQIUQDOGACN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN4S/c16-9-1-4-11-13(7-9)20(10-2-3-10)15(19-11)12-8-21-14(18-12)5-6-17/h1,4,7-8,10H,2-3,5-6,17H2.
What are the key properties of 2-[4-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)-1,3-thiazol-2-yl]ethanamine?
2-[4-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)-1,3-thiazol-2-yl]ethanamine has a molecular weight of 302.38 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)-1,3-thiazol-2-yl]ethanamine is sourced from PubChem (CID 66380200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).