N,N,4-trimethyl-2-[(2,2,2-trifluoroacetyl)amino]-1,3-thiazole-5-carboxamide

C9H10F3N3O2S — CID 4079269

IUPACN,N,4-trimethyl-2-[(2,2,2-trifluoroacetyl)amino]-1,3-thiazole-5-carboxamide
SMILESCc1nc(NC(=O)C(F)(F)F)sc1C(=O)N(C)C
InChIInChI=1S/C9H10F3N3O2S/c1-4-5(6(16)15(2)3)18-8(13-4)14-7(17)9(10,11)12/h1-3H3,(H,13,14,17)
InChIKeyZKEXGTYRZZEKHW-UHFFFAOYSA-N
MW281.26 g/mol
LogP1.65
Rot. Bonds2

About N,N,4-trimethyl-2-[(2,2,2-trifluoroacetyl)amino]-1,3-thiazole-5-carboxamide

N,N,4-trimethyl-2-[(2,2,2-trifluoroacetyl)amino]-1,3-thiazole-5-carboxamide (PubChem CID 4079269) has the molecular formula C9H10F3N3O2S and a molecular weight of 281.26 g/mol. Its IUPAC name is N,N,4-trimethyl-2-[(2,2,2-trifluoroacetyl)amino]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN,N,4-trimethyl-2-[(2,2,2-trifluoroacetyl)amino]-1,3-thiazole-5-carboxamide
PubChem CID4079269
Molecular FormulaC9H10F3N3O2S
Molecular Weight281.26 g/mol
Exact Mass281.04
IUPAC NameN,N,4-trimethyl-2-[(2,2,2-trifluoroacetyl)amino]-1,3-thiazole-5-carboxamide
SMILESCc1nc(NC(=O)C(F)(F)F)sc1C(=O)N(C)C
InChIInChI=1S/C9H10F3N3O2S/c1-4-5(6(16)15(2)3)18-8(13-4)14-7(17)9(10,11)12/h1-3H3,(H,13,14,17)
InChIKeyZKEXGTYRZZEKHW-UHFFFAOYSA-N
XLogP1.65
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.26
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 6467924
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CID 6468397
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CID 844712
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CID 3236752
CID 3236752
CID 3242285
CID 3242285
CID 3415575
CID 3415575
CID 6470491
CID 6470491
CID 644927
CID 644927
CID 857186
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CID 896324
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CID 654647
CID 654647

Frequently Asked Questions

What is the IUPAC name of N,N,4-trimethyl-2-[(2,2,2-trifluoroacetyl)amino]-1,3-thiazole-5-carboxamide?
The IUPAC name of N,N,4-trimethyl-2-[(2,2,2-trifluoroacetyl)amino]-1,3-thiazole-5-carboxamide (CID 4079269) is N,N,4-trimethyl-2-[(2,2,2-trifluoroacetyl)amino]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N,N,4-trimethyl-2-[(2,2,2-trifluoroacetyl)amino]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N,N,4-trimethyl-2-[(2,2,2-trifluoroacetyl)amino]-1,3-thiazole-5-carboxamide is Cc1nc(NC(=O)C(F)(F)F)sc1C(=O)N(C)C.
What is the InChIKey of N,N,4-trimethyl-2-[(2,2,2-trifluoroacetyl)amino]-1,3-thiazole-5-carboxamide?
The InChIKey is ZKEXGTYRZZEKHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N3O2S/c1-4-5(6(16)15(2)3)18-8(13-4)14-7(17)9(10,11)12/h1-3H3,(H,13,14,17).
What are the key properties of N,N,4-trimethyl-2-[(2,2,2-trifluoroacetyl)amino]-1,3-thiazole-5-carboxamide?
N,N,4-trimethyl-2-[(2,2,2-trifluoroacetyl)amino]-1,3-thiazole-5-carboxamide has a molecular weight of 281.26 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,4-trimethyl-2-[(2,2,2-trifluoroacetyl)amino]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 4079269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).