N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[4-(trifluoromethyl)phenyl]tetrazole-5-carboxamide

C14H11F3N6OS — CID 71791604

IUPACN-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[4-(trifluoromethyl)phenyl]tetrazole-5-carboxamide
SMILESCc1nc(NC(=O)c2nnn(-c3ccc(C(F)(F)F)cc3)n2)sc1C
InChIInChI=1S/C14H11F3N6OS/c1-7-8(2)25-13(18-7)19-12(24)11-20-22-23(21-11)10-5-3-9(4-6-10)14(15,16)17/h3-6H,1-2H3,(H,18,19,24)
InChIKeyKOSJVBJTNRKYGL-UHFFFAOYSA-N
MW368.34 g/mol
LogP3.01
Rot. Bonds3

About N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[4-(trifluoromethyl)phenyl]tetrazole-5-carboxamide

N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[4-(trifluoromethyl)phenyl]tetrazole-5-carboxamide (PubChem CID 71791604) has the molecular formula C14H11F3N6OS and a molecular weight of 368.34 g/mol. Its IUPAC name is N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[4-(trifluoromethyl)phenyl]tetrazole-5-carboxamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[4-(trifluoromethyl)phenyl]tetrazole-5-carboxamide
PubChem CID71791604
Molecular FormulaC14H11F3N6OS
Molecular Weight368.34 g/mol
Exact Mass368.07
IUPAC NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[4-(trifluoromethyl)phenyl]tetrazole-5-carboxamide
SMILESCc1nc(NC(=O)c2nnn(-c3ccc(C(F)(F)F)cc3)n2)sc1C
InChIInChI=1S/C14H11F3N6OS/c1-7-8(2)25-13(18-7)19-12(24)11-20-22-23(21-11)10-5-3-9(4-6-10)14(15,16)17/h3-6H,1-2H3,(H,18,19,24)
InChIKeyKOSJVBJTNRKYGL-UHFFFAOYSA-N
XLogP3.01
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.34
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[4-(trifluoromethyl)phenyl]tetrazole-5-carboxamide?
The IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[4-(trifluoromethyl)phenyl]tetrazole-5-carboxamide (CID 71791604) is N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[4-(trifluoromethyl)phenyl]tetrazole-5-carboxamide.
What is the SMILES notation for N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[4-(trifluoromethyl)phenyl]tetrazole-5-carboxamide?
The canonical SMILES for N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[4-(trifluoromethyl)phenyl]tetrazole-5-carboxamide is Cc1nc(NC(=O)c2nnn(-c3ccc(C(F)(F)F)cc3)n2)sc1C.
What is the InChIKey of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[4-(trifluoromethyl)phenyl]tetrazole-5-carboxamide?
The InChIKey is KOSJVBJTNRKYGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N6OS/c1-7-8(2)25-13(18-7)19-12(24)11-20-22-23(21-11)10-5-3-9(4-6-10)14(15,16)17/h3-6H,1-2H3,(H,18,19,24).
What are the key properties of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[4-(trifluoromethyl)phenyl]tetrazole-5-carboxamide?
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[4-(trifluoromethyl)phenyl]tetrazole-5-carboxamide has a molecular weight of 368.34 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[4-(trifluoromethyl)phenyl]tetrazole-5-carboxamide is sourced from PubChem (CID 71791604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).