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

C14H13FN4S — CID 62376570

IUPAC4-[(1-cyclopropyl-6-fluorobenzimidazol-2-yl)methyl]-1,3-thiazol-2-amine
SMILESNc1nc(Cc2nc3ccc(F)cc3n2C2CC2)cs1
InChIInChI=1S/C14H13FN4S/c15-8-1-4-11-12(5-8)19(10-2-3-10)13(18-11)6-9-7-20-14(16)17-9/h1,4-5,7,10H,2-3,6H2,(H2,16,17)
InChIKeyOREWMADGVHDWSX-UHFFFAOYSA-N
MW288.35 g/mol
LogP3.14
Rot. Bonds3

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

4-[(1-cyclopropyl-6-fluorobenzimidazol-2-yl)methyl]-1,3-thiazol-2-amine (PubChem CID 62376570) has the molecular formula C14H13FN4S and a molecular weight of 288.35 g/mol. Its IUPAC name is 4-[(1-cyclopropyl-6-fluorobenzimidazol-2-yl)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[(1-cyclopropyl-6-fluorobenzimidazol-2-yl)methyl]-1,3-thiazol-2-amine
PubChem CID62376570
Molecular FormulaC14H13FN4S
Molecular Weight288.35 g/mol
Exact Mass288.08
IUPAC Name4-[(1-cyclopropyl-6-fluorobenzimidazol-2-yl)methyl]-1,3-thiazol-2-amine
SMILESNc1nc(Cc2nc3ccc(F)cc3n2C2CC2)cs1
InChIInChI=1S/C14H13FN4S/c15-8-1-4-11-12(5-8)19(10-2-3-10)13(18-11)6-9-7-20-14(16)17-9/h1,4-5,7,10H,2-3,6H2,(H2,16,17)
InChIKeyOREWMADGVHDWSX-UHFFFAOYSA-N
XLogP3.14
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(1-cyclopropyl-6-fluorobenzimidazol-2-yl)methyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[(1-cyclopropyl-6-fluorobenzimidazol-2-yl)methyl]-1,3-thiazol-2-amine (CID 62376570) is 4-[(1-cyclopropyl-6-fluorobenzimidazol-2-yl)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[(1-cyclopropyl-6-fluorobenzimidazol-2-yl)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[(1-cyclopropyl-6-fluorobenzimidazol-2-yl)methyl]-1,3-thiazol-2-amine is Nc1nc(Cc2nc3ccc(F)cc3n2C2CC2)cs1.
What is the InChIKey of 4-[(1-cyclopropyl-6-fluorobenzimidazol-2-yl)methyl]-1,3-thiazol-2-amine?
The InChIKey is OREWMADGVHDWSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN4S/c15-8-1-4-11-12(5-8)19(10-2-3-10)13(18-11)6-9-7-20-14(16)17-9/h1,4-5,7,10H,2-3,6H2,(H2,16,17).
What are the key properties of 4-[(1-cyclopropyl-6-fluorobenzimidazol-2-yl)methyl]-1,3-thiazol-2-amine?
4-[(1-cyclopropyl-6-fluorobenzimidazol-2-yl)methyl]-1,3-thiazol-2-amine has a molecular weight of 288.35 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-cyclopropyl-6-fluorobenzimidazol-2-yl)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 62376570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).