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

C14H13FN4S — CID 79397633

IUPAC4-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)-3-methyl-1,2-thiazol-5-amine
SMILESCc1nsc(N)c1-c1nc2cc(F)ccc2n1C1CC1
InChIInChI=1S/C14H13FN4S/c1-7-12(13(16)20-18-7)14-17-10-6-8(15)2-5-11(10)19(14)9-3-4-9/h2,5-6,9H,3-4,16H2,1H3
InChIKeyWOZISDSVEODDQI-UHFFFAOYSA-N
MW288.35 g/mol
LogP3.52
Rot. Bonds2

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

4-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)-3-methyl-1,2-thiazol-5-amine (PubChem CID 79397633) 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)-3-methyl-1,2-thiazol-5-amine.

Molecular Properties

Compound Name4-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)-3-methyl-1,2-thiazol-5-amine
PubChem CID79397633
Molecular FormulaC14H13FN4S
Molecular Weight288.35 g/mol
Exact Mass288.08
IUPAC Name4-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)-3-methyl-1,2-thiazol-5-amine
SMILESCc1nsc(N)c1-c1nc2cc(F)ccc2n1C1CC1
InChIInChI=1S/C14H13FN4S/c1-7-12(13(16)20-18-7)14-17-10-6-8(15)2-5-11(10)19(14)9-3-4-9/h2,5-6,9H,3-4,16H2,1H3
InChIKeyWOZISDSVEODDQI-UHFFFAOYSA-N
XLogP3.52
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)-3-methyl-1,2-thiazol-5-amine?
The IUPAC name of 4-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)-3-methyl-1,2-thiazol-5-amine (CID 79397633) is 4-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)-3-methyl-1,2-thiazol-5-amine.
What is the SMILES notation for 4-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)-3-methyl-1,2-thiazol-5-amine?
The canonical SMILES for 4-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)-3-methyl-1,2-thiazol-5-amine is Cc1nsc(N)c1-c1nc2cc(F)ccc2n1C1CC1.
What is the InChIKey of 4-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)-3-methyl-1,2-thiazol-5-amine?
The InChIKey is WOZISDSVEODDQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN4S/c1-7-12(13(16)20-18-7)14-17-10-6-8(15)2-5-11(10)19(14)9-3-4-9/h2,5-6,9H,3-4,16H2,1H3.
What are the key properties of 4-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)-3-methyl-1,2-thiazol-5-amine?
4-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)-3-methyl-1,2-thiazol-5-amine has a molecular weight of 288.35 g/mol, XLogP of 3.52, 2 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)-3-methyl-1,2-thiazol-5-amine is sourced from PubChem (CID 79397633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).