4-[(1-cyclopropyl-5-fluorobenzimidazol-2-yl)methyl]-1,3-thiazol-2-amine

C14H13FN4S — CID 60784546

IUPAC4-[(1-cyclopropyl-5-fluorobenzimidazol-2-yl)methyl]-1,3-thiazol-2-amine
SMILESNc1nc(Cc2nc3cc(F)ccc3n2C2CC2)cs1
InChIInChI=1S/C14H13FN4S/c15-8-1-4-12-11(5-8)18-13(19(12)10-2-3-10)6-9-7-20-14(16)17-9/h1,4-5,7,10H,2-3,6H2,(H2,16,17)
InChIKeyGITJKTNKXDTYCG-UHFFFAOYSA-N
MW288.35 g/mol
LogP3.14
Rot. Bonds3

About 4-[(1-cyclopropyl-5-fluorobenzimidazol-2-yl)methyl]-1,3-thiazol-2-amine

4-[(1-cyclopropyl-5-fluorobenzimidazol-2-yl)methyl]-1,3-thiazol-2-amine (PubChem CID 60784546) has the molecular formula C14H13FN4S and a molecular weight of 288.35 g/mol. Its IUPAC name is 4-[(1-cyclopropyl-5-fluorobenzimidazol-2-yl)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[(1-cyclopropyl-5-fluorobenzimidazol-2-yl)methyl]-1,3-thiazol-2-amine
PubChem CID60784546
Molecular FormulaC14H13FN4S
Molecular Weight288.35 g/mol
Exact Mass288.08
IUPAC Name4-[(1-cyclopropyl-5-fluorobenzimidazol-2-yl)methyl]-1,3-thiazol-2-amine
SMILESNc1nc(Cc2nc3cc(F)ccc3n2C2CC2)cs1
InChIInChI=1S/C14H13FN4S/c15-8-1-4-12-11(5-8)18-13(19(12)10-2-3-10)6-9-7-20-14(16)17-9/h1,4-5,7,10H,2-3,6H2,(H2,16,17)
InChIKeyGITJKTNKXDTYCG-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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Related Compounds

4-[(1-cyclopropyl-6-fluorobenzimidazol-2-yl)methyl]-1,3-thiazol-2-amine
CID 62376570
4-[(1-cyclopropyl-5-fluorobenzimidazol-2-yl)methyl]aniline
CID 60785645
2-(chloromethyl)-1-cyclopentyl-5-fluorobenzimidazole
CID 43660216
2-(chloromethyl)-1-cyclohexyl-5-fluorobenzimidazole
CID 43660251
2-[(1-cyclopropyl-5-fluorobenzimidazol-2-yl)methylsulfanyl]acetic acid
CID 104570568
N-[(1-cyclopropyl-5-fluorobenzimidazol-2-yl)methyl]cyclopentanamine
CID 60836872
5-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)benzene-1,3-diamine
CID 107811484
[4-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)-2-pyridinyl]methanamine
CID 114324618
2-benzyl-1-cyclopropylbenzimidazol-5-amine
CID 82486059
5-fluoro-1-(4-propylcyclohexyl)benzimidazol-2-amine
CID 63546950
(2-benzyl-1-cyclopropylbenzimidazol-5-yl)methanamine
CID 65037851
2-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)-1,1,1-trifluoropropan-2-amine
CID 79799089

Frequently Asked Questions

What is the IUPAC name of 4-[(1-cyclopropyl-5-fluorobenzimidazol-2-yl)methyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[(1-cyclopropyl-5-fluorobenzimidazol-2-yl)methyl]-1,3-thiazol-2-amine (CID 60784546) is 4-[(1-cyclopropyl-5-fluorobenzimidazol-2-yl)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[(1-cyclopropyl-5-fluorobenzimidazol-2-yl)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[(1-cyclopropyl-5-fluorobenzimidazol-2-yl)methyl]-1,3-thiazol-2-amine is Nc1nc(Cc2nc3cc(F)ccc3n2C2CC2)cs1.
What is the InChIKey of 4-[(1-cyclopropyl-5-fluorobenzimidazol-2-yl)methyl]-1,3-thiazol-2-amine?
The InChIKey is GITJKTNKXDTYCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN4S/c15-8-1-4-12-11(5-8)18-13(19(12)10-2-3-10)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-5-fluorobenzimidazol-2-yl)methyl]-1,3-thiazol-2-amine?
4-[(1-cyclopropyl-5-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-5-fluorobenzimidazol-2-yl)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 60784546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).