N-propan-2-yl-3-[3-(trifluoromethyl)phenyl]-1,2-thiazole-4-carboxamide

C14H13F3N2OS — CID 86736808

IUPACN-propan-2-yl-3-[3-(trifluoromethyl)phenyl]-1,2-thiazole-4-carboxamide
SMILESCC(C)NC(=O)c1csnc1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H13F3N2OS/c1-8(2)18-13(20)11-7-21-19-12(11)9-4-3-5-10(6-9)14(15,16)17/h3-8H,1-2H3,(H,18,20)
InChIKeyCYQAFNPUOFPJCM-UHFFFAOYSA-N
MW314.33 g/mol
LogP3.97
Rot. Bonds3

About N-propan-2-yl-3-[3-(trifluoromethyl)phenyl]-1,2-thiazole-4-carboxamide

N-propan-2-yl-3-[3-(trifluoromethyl)phenyl]-1,2-thiazole-4-carboxamide (PubChem CID 86736808) has the molecular formula C14H13F3N2OS and a molecular weight of 314.33 g/mol. Its IUPAC name is N-propan-2-yl-3-[3-(trifluoromethyl)phenyl]-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-propan-2-yl-3-[3-(trifluoromethyl)phenyl]-1,2-thiazole-4-carboxamide
PubChem CID86736808
Molecular FormulaC14H13F3N2OS
Molecular Weight314.33 g/mol
Exact Mass314.07
IUPAC NameN-propan-2-yl-3-[3-(trifluoromethyl)phenyl]-1,2-thiazole-4-carboxamide
SMILESCC(C)NC(=O)c1csnc1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H13F3N2OS/c1-8(2)18-13(20)11-7-21-19-12(11)9-4-3-5-10(6-9)14(15,16)17/h3-8H,1-2H3,(H,18,20)
InChIKeyCYQAFNPUOFPJCM-UHFFFAOYSA-N
XLogP3.97
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.33
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

CID 2765918
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CID 45860923
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CID 53169218
CID 53169218
CID 45495135
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CID 45874815
CID 52906063
CID 52906063
CID 52906065
CID 52906065
CID 86793280
CID 86793280
CID 97859617
CID 97859617
CID 164636432
CID 164636432
CID 13073259
CID 13073259
CID 23465073
CID 23465073

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-3-[3-(trifluoromethyl)phenyl]-1,2-thiazole-4-carboxamide?
The IUPAC name of N-propan-2-yl-3-[3-(trifluoromethyl)phenyl]-1,2-thiazole-4-carboxamide (CID 86736808) is N-propan-2-yl-3-[3-(trifluoromethyl)phenyl]-1,2-thiazole-4-carboxamide.
What is the SMILES notation for N-propan-2-yl-3-[3-(trifluoromethyl)phenyl]-1,2-thiazole-4-carboxamide?
The canonical SMILES for N-propan-2-yl-3-[3-(trifluoromethyl)phenyl]-1,2-thiazole-4-carboxamide is CC(C)NC(=O)c1csnc1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-propan-2-yl-3-[3-(trifluoromethyl)phenyl]-1,2-thiazole-4-carboxamide?
The InChIKey is CYQAFNPUOFPJCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2OS/c1-8(2)18-13(20)11-7-21-19-12(11)9-4-3-5-10(6-9)14(15,16)17/h3-8H,1-2H3,(H,18,20).
What are the key properties of N-propan-2-yl-3-[3-(trifluoromethyl)phenyl]-1,2-thiazole-4-carboxamide?
N-propan-2-yl-3-[3-(trifluoromethyl)phenyl]-1,2-thiazole-4-carboxamide has a molecular weight of 314.33 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-3-[3-(trifluoromethyl)phenyl]-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 86736808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).