4-(1-methylbenzimidazol-2-yl)-N-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine

C18H13F3N4S — CID 139972742

IUPAC4-(1-methylbenzimidazol-2-yl)-N-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
SMILESCn1c(-c2csc(Nc3ccc(C(F)(F)F)cc3)n2)nc2ccccc21
InChIInChI=1S/C18H13F3N4S/c1-25-15-5-3-2-4-13(15)23-16(25)14-10-26-17(24-14)22-12-8-6-11(7-9-12)18(19,20)21/h2-10H,1H3,(H,22,24)
InChIKeySYGFUPKIFNLVSF-UHFFFAOYSA-N
MW374.39 g/mol
LogP5.46
Rot. Bonds3

About 4-(1-methylbenzimidazol-2-yl)-N-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine

4-(1-methylbenzimidazol-2-yl)-N-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine (PubChem CID 139972742) has the molecular formula C18H13F3N4S and a molecular weight of 374.39 g/mol. Its IUPAC name is 4-(1-methylbenzimidazol-2-yl)-N-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(1-methylbenzimidazol-2-yl)-N-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
PubChem CID139972742
Molecular FormulaC18H13F3N4S
Molecular Weight374.39 g/mol
Exact Mass374.08
IUPAC Name4-(1-methylbenzimidazol-2-yl)-N-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
SMILESCn1c(-c2csc(Nc3ccc(C(F)(F)F)cc3)n2)nc2ccccc21
InChIInChI=1S/C18H13F3N4S/c1-25-15-5-3-2-4-13(15)23-16(25)14-10-26-17(24-14)22-12-8-6-11(7-9-12)18(19,20)21/h2-10H,1H3,(H,22,24)
InChIKeySYGFUPKIFNLVSF-UHFFFAOYSA-N
XLogP5.46
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.39
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(1-methylbenzimidazol-2-yl)-N-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-(1-methylbenzimidazol-2-yl)-N-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine (CID 139972742) is 4-(1-methylbenzimidazol-2-yl)-N-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(1-methylbenzimidazol-2-yl)-N-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-(1-methylbenzimidazol-2-yl)-N-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine is Cn1c(-c2csc(Nc3ccc(C(F)(F)F)cc3)n2)nc2ccccc21.
What is the InChIKey of 4-(1-methylbenzimidazol-2-yl)-N-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine?
The InChIKey is SYGFUPKIFNLVSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N4S/c1-25-15-5-3-2-4-13(15)23-16(25)14-10-26-17(24-14)22-12-8-6-11(7-9-12)18(19,20)21/h2-10H,1H3,(H,22,24).
What are the key properties of 4-(1-methylbenzimidazol-2-yl)-N-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine?
4-(1-methylbenzimidazol-2-yl)-N-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine has a molecular weight of 374.39 g/mol, XLogP of 5.46, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylbenzimidazol-2-yl)-N-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 139972742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).