N-propan-2-yl-N-[3-(trifluoromethyl)phenyl]thiadiazole-5-carboxamide

C13H12F3N3OS — CID 71916472

IUPACN-propan-2-yl-N-[3-(trifluoromethyl)phenyl]thiadiazole-5-carboxamide
SMILESCC(C)N(C(=O)c1cnns1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H12F3N3OS/c1-8(2)19(12(20)11-7-17-18-21-11)10-5-3-4-9(6-10)13(14,15)16/h3-8H,1-2H3
InChIKeyMBTDVBKOMUSPOU-UHFFFAOYSA-N
MW315.32 g/mol
LogP3.61
Rot. Bonds3

About N-propan-2-yl-N-[3-(trifluoromethyl)phenyl]thiadiazole-5-carboxamide

N-propan-2-yl-N-[3-(trifluoromethyl)phenyl]thiadiazole-5-carboxamide (PubChem CID 71916472) has the molecular formula C13H12F3N3OS and a molecular weight of 315.32 g/mol. Its IUPAC name is N-propan-2-yl-N-[3-(trifluoromethyl)phenyl]thiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-propan-2-yl-N-[3-(trifluoromethyl)phenyl]thiadiazole-5-carboxamide
PubChem CID71916472
Molecular FormulaC13H12F3N3OS
Molecular Weight315.32 g/mol
Exact Mass315.07
IUPAC NameN-propan-2-yl-N-[3-(trifluoromethyl)phenyl]thiadiazole-5-carboxamide
SMILESCC(C)N(C(=O)c1cnns1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H12F3N3OS/c1-8(2)19(12(20)11-7-17-18-21-11)10-5-3-4-9(6-10)13(14,15)16/h3-8H,1-2H3
InChIKeyMBTDVBKOMUSPOU-UHFFFAOYSA-N
XLogP3.61
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.32
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-N-[3-(trifluoromethyl)phenyl]thiadiazole-5-carboxamide?
The IUPAC name of N-propan-2-yl-N-[3-(trifluoromethyl)phenyl]thiadiazole-5-carboxamide (CID 71916472) is N-propan-2-yl-N-[3-(trifluoromethyl)phenyl]thiadiazole-5-carboxamide.
What is the SMILES notation for N-propan-2-yl-N-[3-(trifluoromethyl)phenyl]thiadiazole-5-carboxamide?
The canonical SMILES for N-propan-2-yl-N-[3-(trifluoromethyl)phenyl]thiadiazole-5-carboxamide is CC(C)N(C(=O)c1cnns1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-propan-2-yl-N-[3-(trifluoromethyl)phenyl]thiadiazole-5-carboxamide?
The InChIKey is MBTDVBKOMUSPOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N3OS/c1-8(2)19(12(20)11-7-17-18-21-11)10-5-3-4-9(6-10)13(14,15)16/h3-8H,1-2H3.
What are the key properties of N-propan-2-yl-N-[3-(trifluoromethyl)phenyl]thiadiazole-5-carboxamide?
N-propan-2-yl-N-[3-(trifluoromethyl)phenyl]thiadiazole-5-carboxamide has a molecular weight of 315.32 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-N-[3-(trifluoromethyl)phenyl]thiadiazole-5-carboxamide is sourced from PubChem (CID 71916472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).