4-(4-fluoro-1-methylbenzimidazol-2-yl)-N,3-dimethyl-1,2-thiazol-5-amine

C13H13FN4S — CID 79402324

IUPAC4-(4-fluoro-1-methylbenzimidazol-2-yl)-N,3-dimethyl-1,2-thiazol-5-amine
SMILESCNc1snc(C)c1-c1nc2c(F)cccc2n1C
InChIInChI=1S/C13H13FN4S/c1-7-10(13(15-2)19-17-7)12-16-11-8(14)5-4-6-9(11)18(12)3/h4-6,15H,1-3H3
InChIKeyLRDMQWTVKBPUGK-UHFFFAOYSA-N
MW276.34 g/mol
LogP3.19
Rot. Bonds2

About 4-(4-fluoro-1-methylbenzimidazol-2-yl)-N,3-dimethyl-1,2-thiazol-5-amine

4-(4-fluoro-1-methylbenzimidazol-2-yl)-N,3-dimethyl-1,2-thiazol-5-amine (PubChem CID 79402324) has the molecular formula C13H13FN4S and a molecular weight of 276.34 g/mol. Its IUPAC name is 4-(4-fluoro-1-methylbenzimidazol-2-yl)-N,3-dimethyl-1,2-thiazol-5-amine.

Molecular Properties

Compound Name4-(4-fluoro-1-methylbenzimidazol-2-yl)-N,3-dimethyl-1,2-thiazol-5-amine
PubChem CID79402324
Molecular FormulaC13H13FN4S
Molecular Weight276.34 g/mol
Exact Mass276.08
IUPAC Name4-(4-fluoro-1-methylbenzimidazol-2-yl)-N,3-dimethyl-1,2-thiazol-5-amine
SMILESCNc1snc(C)c1-c1nc2c(F)cccc2n1C
InChIInChI=1S/C13H13FN4S/c1-7-10(13(15-2)19-17-7)12-16-11-8(14)5-4-6-9(11)18(12)3/h4-6,15H,1-3H3
InChIKeyLRDMQWTVKBPUGK-UHFFFAOYSA-N
XLogP3.19
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoro-1-methylbenzimidazol-2-yl)-N,3-dimethyl-1,2-thiazol-5-amine?
The IUPAC name of 4-(4-fluoro-1-methylbenzimidazol-2-yl)-N,3-dimethyl-1,2-thiazol-5-amine (CID 79402324) is 4-(4-fluoro-1-methylbenzimidazol-2-yl)-N,3-dimethyl-1,2-thiazol-5-amine.
What is the SMILES notation for 4-(4-fluoro-1-methylbenzimidazol-2-yl)-N,3-dimethyl-1,2-thiazol-5-amine?
The canonical SMILES for 4-(4-fluoro-1-methylbenzimidazol-2-yl)-N,3-dimethyl-1,2-thiazol-5-amine is CNc1snc(C)c1-c1nc2c(F)cccc2n1C.
What is the InChIKey of 4-(4-fluoro-1-methylbenzimidazol-2-yl)-N,3-dimethyl-1,2-thiazol-5-amine?
The InChIKey is LRDMQWTVKBPUGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN4S/c1-7-10(13(15-2)19-17-7)12-16-11-8(14)5-4-6-9(11)18(12)3/h4-6,15H,1-3H3.
What are the key properties of 4-(4-fluoro-1-methylbenzimidazol-2-yl)-N,3-dimethyl-1,2-thiazol-5-amine?
4-(4-fluoro-1-methylbenzimidazol-2-yl)-N,3-dimethyl-1,2-thiazol-5-amine has a molecular weight of 276.34 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoro-1-methylbenzimidazol-2-yl)-N,3-dimethyl-1,2-thiazol-5-amine is sourced from PubChem (CID 79402324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).