N-(3-methylbutyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide

C10H13F3N2OS — CID 84557848

IUPACN-(3-methylbutyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
SMILESCC(C)CCNC(=O)c1scnc1C(F)(F)F
InChIInChI=1S/C10H13F3N2OS/c1-6(2)3-4-14-9(16)7-8(10(11,12)13)15-5-17-7/h5-6H,3-4H2,1-2H3,(H,14,16)
InChIKeyBXTKNMKURHDLJM-UHFFFAOYSA-N
MW266.29 g/mol
LogP2.94
Rot. Bonds4

About N-(3-methylbutyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide

N-(3-methylbutyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide (PubChem CID 84557848) has the molecular formula C10H13F3N2OS and a molecular weight of 266.29 g/mol. Its IUPAC name is N-(3-methylbutyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
PubChem CID84557848
Molecular FormulaC10H13F3N2OS
Molecular Weight266.29 g/mol
Exact Mass266.07
IUPAC NameN-(3-methylbutyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
SMILESCC(C)CCNC(=O)c1scnc1C(F)(F)F
InChIInChI=1S/C10H13F3N2OS/c1-6(2)3-4-14-9(16)7-8(10(11,12)13)15-5-17-7/h5-6H,3-4H2,1-2H3,(H,14,16)
InChIKeyBXTKNMKURHDLJM-UHFFFAOYSA-N
XLogP2.94
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(3-methylbutyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide (CID 84557848) is N-(3-methylbutyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(3-methylbutyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(3-methylbutyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide is CC(C)CCNC(=O)c1scnc1C(F)(F)F.
What is the InChIKey of N-(3-methylbutyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is BXTKNMKURHDLJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2OS/c1-6(2)3-4-14-9(16)7-8(10(11,12)13)15-5-17-7/h5-6H,3-4H2,1-2H3,(H,14,16).
What are the key properties of N-(3-methylbutyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
N-(3-methylbutyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 266.29 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 84557848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).