N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide

C11H11F3N4OS2 — CID 146130715

IUPACN-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
SMILESCC(C)(C)c1nsc(NC(=O)c2scnc2C(F)(F)F)n1
InChIInChI=1S/C11H11F3N4OS2/c1-10(2,3)8-17-9(21-18-8)16-7(19)5-6(11(12,13)14)15-4-20-5/h4H,1-3H3,(H,16,17,18,19)
InChIKeyUGOOVPCPPVZFLX-UHFFFAOYSA-N
MW336.36 g/mol
LogP3.56
Rot. Bonds2

About N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide

N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide (PubChem CID 146130715) has the molecular formula C11H11F3N4OS2 and a molecular weight of 336.36 g/mol. Its IUPAC name is N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
PubChem CID146130715
Molecular FormulaC11H11F3N4OS2
Molecular Weight336.36 g/mol
Exact Mass336.03
IUPAC NameN-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
SMILESCC(C)(C)c1nsc(NC(=O)c2scnc2C(F)(F)F)n1
InChIInChI=1S/C11H11F3N4OS2/c1-10(2,3)8-17-9(21-18-8)16-7(19)5-6(11(12,13)14)15-4-20-5/h4H,1-3H3,(H,16,17,18,19)
InChIKeyUGOOVPCPPVZFLX-UHFFFAOYSA-N
XLogP3.56
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.36
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,5-Dimethyl-1,2,4-triazol-3-YL)-4-methyl-1,3-thiazole-5-carboxamide
CID 86789668
4-methyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1,3-thiazole-5-carboxamide
CID 47277858
N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
CID 84560173
N-(4-propan-2-yl-1,3-thiazol-2-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
CID 84560322
N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
CID 84560383
N-(5-methyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
CID 84560475
N-(4-methyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
CID 84561345
N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-methyl-1,3-thiazole-5-carboxamide
CID 47240049
N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 47284095
2-amino-4-methyl-N-(2-methyl-1,2,4-triazol-3-yl)-1,3-thiazole-5-carboxamide
CID 81584596
N-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 86788341
2-amino-4-methyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)-1,3-thiazole-5-carboxamide
CID 116388807

Frequently Asked Questions

What is the IUPAC name of N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide (CID 146130715) is N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide is CC(C)(C)c1nsc(NC(=O)c2scnc2C(F)(F)F)n1.
What is the InChIKey of N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is UGOOVPCPPVZFLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N4OS2/c1-10(2,3)8-17-9(21-18-8)16-7(19)5-6(11(12,13)14)15-4-20-5/h4H,1-3H3,(H,16,17,18,19).
What are the key properties of N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 336.36 g/mol, XLogP of 3.56, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 146130715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).