2-amino-3,3,3-trifluoro-N,2-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide

C10H14F3N3OS — CID 79805415

IUPAC2-amino-3,3,3-trifluoro-N,2-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide
SMILESCc1ncc(CN(C)C(=O)C(C)(N)C(F)(F)F)s1
InChIInChI=1S/C10H14F3N3OS/c1-6-15-4-7(18-6)5-16(3)8(17)9(2,14)10(11,12)13/h4H,5,14H2,1-3H3
InChIKeyMNRQETDACGWEIS-UHFFFAOYSA-N
MW281.30 g/mol
LogP1.69
Rot. Bonds3

About 2-amino-3,3,3-trifluoro-N,2-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide

2-amino-3,3,3-trifluoro-N,2-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide (PubChem CID 79805415) has the molecular formula C10H14F3N3OS and a molecular weight of 281.30 g/mol. Its IUPAC name is 2-amino-3,3,3-trifluoro-N,2-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide.

Molecular Properties

Compound Name2-amino-3,3,3-trifluoro-N,2-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide
PubChem CID79805415
Molecular FormulaC10H14F3N3OS
Molecular Weight281.30 g/mol
Exact Mass281.08
IUPAC Name2-amino-3,3,3-trifluoro-N,2-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide
SMILESCc1ncc(CN(C)C(=O)C(C)(N)C(F)(F)F)s1
InChIInChI=1S/C10H14F3N3OS/c1-6-15-4-7(18-6)5-16(3)8(17)9(2,14)10(11,12)13/h4H,5,14H2,1-3H3
InChIKeyMNRQETDACGWEIS-UHFFFAOYSA-N
XLogP1.69
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.30
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]-N,N-dipropylacetamide
CID 52677539
N-ethyl-N-methyl-3-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]propanamide
CID 71846432
1-[3,3-Dimethyl-4-(1,3-thiazol-5-ylmethyl)piperazin-1-yl]ethanone
CID 75500701
N,N-dimethyl-2-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-ylamino]acetamide
CID 86789745
(2S)-2-amino-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-N,3-dimethylbutanamide
CID 91659790
1-[4-[[5-(Trifluoromethyl)-1,3-thiazol-2-yl]methyl]-1,4-diazepan-1-yl]ethanone
CID 136537959
(2S)-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
CID 164638032
2-[(2-methyl-1,3-thiazol-5-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 60958351
2,2,2-trifluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide
CID 62726537
2,2,2-trifluoro-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide
CID 62729347
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78958377
N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78958410

Frequently Asked Questions

What is the IUPAC name of 2-amino-3,3,3-trifluoro-N,2-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide?
The IUPAC name of 2-amino-3,3,3-trifluoro-N,2-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide (CID 79805415) is 2-amino-3,3,3-trifluoro-N,2-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide.
What is the SMILES notation for 2-amino-3,3,3-trifluoro-N,2-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide?
The canonical SMILES for 2-amino-3,3,3-trifluoro-N,2-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide is Cc1ncc(CN(C)C(=O)C(C)(N)C(F)(F)F)s1.
What is the InChIKey of 2-amino-3,3,3-trifluoro-N,2-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide?
The InChIKey is MNRQETDACGWEIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3OS/c1-6-15-4-7(18-6)5-16(3)8(17)9(2,14)10(11,12)13/h4H,5,14H2,1-3H3.
What are the key properties of 2-amino-3,3,3-trifluoro-N,2-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide?
2-amino-3,3,3-trifluoro-N,2-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide has a molecular weight of 281.30 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,3,3-trifluoro-N,2-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide is sourced from PubChem (CID 79805415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).