(2S)-N-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]-2-[methyl(2,2,2-trifluoroethyl)amino]propanamide

C10H14F3N3O3S2 — CID 129433448

IUPAC(2S)-N-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]-2-[methyl(2,2,2-trifluoroethyl)amino]propanamide
SMILESCc1ncc(S(=O)(=O)NC(=O)[C@H](C)N(C)CC(F)(F)F)s1
InChIInChI=1S/C10H14F3N3O3S2/c1-6(16(3)5-10(11,12)13)9(17)15-21(18,19)8-4-14-7(2)20-8/h4,6H,5H2,1-3H3,(H,15,17)/t6-/m0/s1
InChIKeyOIUDLUVVUICYCO-LURJTMIESA-N
MW345.37 g/mol
LogP1.14
Rot. Bonds5

About (2S)-N-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]-2-[methyl(2,2,2-trifluoroethyl)amino]propanamide

(2S)-N-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]-2-[methyl(2,2,2-trifluoroethyl)amino]propanamide (PubChem CID 129433448) has the molecular formula C10H14F3N3O3S2 and a molecular weight of 345.37 g/mol. Its IUPAC name is (2S)-N-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]-2-[methyl(2,2,2-trifluoroethyl)amino]propanamide.

Molecular Properties

Compound Name(2S)-N-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]-2-[methyl(2,2,2-trifluoroethyl)amino]propanamide
PubChem CID129433448
Molecular FormulaC10H14F3N3O3S2
Molecular Weight345.37 g/mol
Exact Mass345.04
IUPAC Name(2S)-N-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]-2-[methyl(2,2,2-trifluoroethyl)amino]propanamide
SMILESCc1ncc(S(=O)(=O)NC(=O)[C@H](C)N(C)CC(F)(F)F)s1
InChIInChI=1S/C10H14F3N3O3S2/c1-6(16(3)5-10(11,12)13)9(17)15-21(18,19)8-4-14-7(2)20-8/h4,6H,5H2,1-3H3,(H,15,17)/t6-/m0/s1
InChIKeyOIUDLUVVUICYCO-LURJTMIESA-N
XLogP1.14
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,2-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]propanamide
CID 136536037
2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-(2,2,2-trifluoroethyl)amino]-N,N-dimethylacetamide
CID 61046141
2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-methylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 61047616
2-[methyl(2,2,2-trifluoroethyl)amino]-N-(1,3-thiazol-2-ylsulfonyl)propanamide
CID 121525437
N-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]-2-[methyl(2,2,2-trifluoroethyl)amino]propanamide
CID 121525439
(2R)-N-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]-2-[methyl(2,2,2-trifluoroethyl)amino]propanamide
CID 129433449
(2S)-2-[methyl(2,2,2-trifluoroethyl)amino]-N-(1,3-thiazol-2-ylsulfonyl)propanamide
CID 129434132
(2R)-2-[methyl(2,2,2-trifluoroethyl)amino]-N-(1,3-thiazol-2-ylsulfonyl)propanamide
CID 129434133
2,2-difluoro-N-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]cyclopropane-1-carboxamide
CID 136546708
N,N-dimethyl-5-sulfamoyl-1,3-thiazole-2-carboxamide
CID 167336881
2-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]-N-propan-2-ylacetamide
CID 43429069
2-[(2-Chloro-1,3-thiazol-5-yl)sulfonyl-methylamino]acetamide
CID 43455975

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]-2-[methyl(2,2,2-trifluoroethyl)amino]propanamide?
The IUPAC name of (2S)-N-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]-2-[methyl(2,2,2-trifluoroethyl)amino]propanamide (CID 129433448) is (2S)-N-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]-2-[methyl(2,2,2-trifluoroethyl)amino]propanamide.
What is the SMILES notation for (2S)-N-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]-2-[methyl(2,2,2-trifluoroethyl)amino]propanamide?
The canonical SMILES for (2S)-N-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]-2-[methyl(2,2,2-trifluoroethyl)amino]propanamide is Cc1ncc(S(=O)(=O)NC(=O)[C@H](C)N(C)CC(F)(F)F)s1.
What is the InChIKey of (2S)-N-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]-2-[methyl(2,2,2-trifluoroethyl)amino]propanamide?
The InChIKey is OIUDLUVVUICYCO-LURJTMIESA-N. The full InChI is InChI=1S/C10H14F3N3O3S2/c1-6(16(3)5-10(11,12)13)9(17)15-21(18,19)8-4-14-7(2)20-8/h4,6H,5H2,1-3H3,(H,15,17)/t6-/m0/s1.
What are the key properties of (2S)-N-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]-2-[methyl(2,2,2-trifluoroethyl)amino]propanamide?
(2S)-N-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]-2-[methyl(2,2,2-trifluoroethyl)amino]propanamide has a molecular weight of 345.37 g/mol, XLogP of 1.14, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]-2-[methyl(2,2,2-trifluoroethyl)amino]propanamide is sourced from PubChem (CID 129433448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).