N-[(2R)-1,1,1-trifluoro-3,3-dimethylbutan-2-yl]-1,3-thiazole-4-carboxamide

C10H13F3N2OS — CID 95905651

IUPACN-[(2R)-1,1,1-trifluoro-3,3-dimethylbutan-2-yl]-1,3-thiazole-4-carboxamide
SMILESCC(C)(C)[C@@H](NC(=O)c1cscn1)C(F)(F)F
InChIInChI=1S/C10H13F3N2OS/c1-9(2,3)8(10(11,12)13)15-7(16)6-4-17-5-14-6/h4-5,8H,1-3H3,(H,15,16)/t8-/m1/s1
InChIKeyYPXDPOFDYFYESV-MRVPVSSYSA-N
MW266.29 g/mol
LogP2.85
Rot. Bonds2

About N-[(2R)-1,1,1-trifluoro-3,3-dimethylbutan-2-yl]-1,3-thiazole-4-carboxamide

N-[(2R)-1,1,1-trifluoro-3,3-dimethylbutan-2-yl]-1,3-thiazole-4-carboxamide (PubChem CID 95905651) has the molecular formula C10H13F3N2OS and a molecular weight of 266.29 g/mol. Its IUPAC name is N-[(2R)-1,1,1-trifluoro-3,3-dimethylbutan-2-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1,1,1-trifluoro-3,3-dimethylbutan-2-yl]-1,3-thiazole-4-carboxamide
PubChem CID95905651
Molecular FormulaC10H13F3N2OS
Molecular Weight266.29 g/mol
Exact Mass266.07
IUPAC NameN-[(2R)-1,1,1-trifluoro-3,3-dimethylbutan-2-yl]-1,3-thiazole-4-carboxamide
SMILESCC(C)(C)[C@@H](NC(=O)c1cscn1)C(F)(F)F
InChIInChI=1S/C10H13F3N2OS/c1-9(2,3)8(10(11,12)13)15-7(16)6-4-17-5-14-6/h4-5,8H,1-3H3,(H,15,16)/t8-/m1/s1
InChIKeyYPXDPOFDYFYESV-MRVPVSSYSA-N
XLogP2.85
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-prop-2-ynyl-1,3-thiazole-4-carboxamide
CID 63024101
2-(1-amino-2-methylpropyl)-N-(4,4-difluorocyclohexyl)-1,3-thiazole-4-carboxamide
CID 137660414
N-cyclohexyl-1,3-thiazole-4-carboxamide
CID 62045802
(s)-(N-(3-trifluoroacetyl))-2-(1-acetamidoethyl) thiazole-4-carboxamide
CID 168059171
N-cyclohexyl-N-(3,3,3-trifluoropropyl)-1,3-thiazole-4-carboxamide
CID 71858990
(2S)-2-methyl-1-(1,3-thiazole-4-carbonyl)piperazine
CID 82705199
N-[(2S)-1-amino-1-oxopropan-2-yl]-2-propan-2-yl-1,3-thiazole-4-carboxamide
CID 86814871
N-(4-amino-2-methyl-4-oxobutan-2-yl)-1,3-thiazole-4-carboxamide
CID 86815112
N-[(2S)-1,1,1-trifluoro-3,3-dimethylbutan-2-yl]-1,3-thiazole-4-carboxamide
CID 95905650
2-(aminomethyl)-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide
CID 121577427
N-(3-fluoro-3-methylcyclobutyl)-1,3-thiazole-4-carboxamide
CID 126791350
(3,3-Difluoropyrrolidin-1-yl)-(1,3-thiazol-4-yl)methanone
CID 130685234

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1,1,1-trifluoro-3,3-dimethylbutan-2-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[(2R)-1,1,1-trifluoro-3,3-dimethylbutan-2-yl]-1,3-thiazole-4-carboxamide (CID 95905651) is N-[(2R)-1,1,1-trifluoro-3,3-dimethylbutan-2-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[(2R)-1,1,1-trifluoro-3,3-dimethylbutan-2-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[(2R)-1,1,1-trifluoro-3,3-dimethylbutan-2-yl]-1,3-thiazole-4-carboxamide is CC(C)(C)[C@@H](NC(=O)c1cscn1)C(F)(F)F.
What is the InChIKey of N-[(2R)-1,1,1-trifluoro-3,3-dimethylbutan-2-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is YPXDPOFDYFYESV-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H13F3N2OS/c1-9(2,3)8(10(11,12)13)15-7(16)6-4-17-5-14-6/h4-5,8H,1-3H3,(H,15,16)/t8-/m1/s1.
What are the key properties of N-[(2R)-1,1,1-trifluoro-3,3-dimethylbutan-2-yl]-1,3-thiazole-4-carboxamide?
N-[(2R)-1,1,1-trifluoro-3,3-dimethylbutan-2-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 266.29 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1,1,1-trifluoro-3,3-dimethylbutan-2-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 95905651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).