2-amino-N,3-dimethyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pentanamide

C12H18F3N3OS — CID 119813025

IUPAC2-amino-N,3-dimethyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pentanamide
SMILESCCC(C)C(N)C(=O)N(C)Cc1nc(C(F)(F)F)cs1
InChIInChI=1S/C12H18F3N3OS/c1-4-7(2)10(16)11(19)18(3)5-9-17-8(6-20-9)12(13,14)15/h6-7,10H,4-5,16H2,1-3H3
InChIKeySALJLYYIOBGVTA-UHFFFAOYSA-N
MW309.36 g/mol
LogP2.49
Rot. Bonds5

About 2-amino-N,3-dimethyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pentanamide

2-amino-N,3-dimethyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pentanamide (PubChem CID 119813025) has the molecular formula C12H18F3N3OS and a molecular weight of 309.36 g/mol. Its IUPAC name is 2-amino-N,3-dimethyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pentanamide.

Molecular Properties

Compound Name2-amino-N,3-dimethyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pentanamide
PubChem CID119813025
Molecular FormulaC12H18F3N3OS
Molecular Weight309.36 g/mol
Exact Mass309.11
IUPAC Name2-amino-N,3-dimethyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pentanamide
SMILESCCC(C)C(N)C(=O)N(C)Cc1nc(C(F)(F)F)cs1
InChIInChI=1S/C12H18F3N3OS/c1-4-7(2)10(16)11(19)18(3)5-9-17-8(6-20-9)12(13,14)15/h6-7,10H,4-5,16H2,1-3H3
InChIKeySALJLYYIOBGVTA-UHFFFAOYSA-N
XLogP2.49
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.36
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pentanamide
CID 120563759
3-amino-N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]butanamide;hydrochloride
CID 119813026
2-amino-N-methyl-3-phenyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]propanamide;hydrochloride
CID 84588637
(2S,3S)-2-amino-N,3-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]pentanamide
CID 61259824
N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]cyclopentanecarboxamide
CID 71983767
4-amino-5-chloro-2-methoxy-N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]benzamide;hydrochloride
CID 119813032
2-(2-aminoethyl)-N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-1,3-thiazole-4-carboxamide
CID 120637590
2-(4-chlorophenyl)-N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]acetamide
CID 122144134
(2S,3S)-2-amino-N,3-dimethyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]pentanamide
CID 97341719
5-[methyl-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]carbamoyl]pyrazine-2-carboxylic acid
CID 120685824
N,5-dimethyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyrazine-2-carboxamide
CID 71983792
N-methyl-3-piperidin-4-yl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]butanamide;hydrochloride
CID 119813020

Frequently Asked Questions

What is the IUPAC name of 2-amino-N,3-dimethyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pentanamide?
The IUPAC name of 2-amino-N,3-dimethyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pentanamide (CID 119813025) is 2-amino-N,3-dimethyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pentanamide.
What is the SMILES notation for 2-amino-N,3-dimethyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pentanamide?
The canonical SMILES for 2-amino-N,3-dimethyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pentanamide is CCC(C)C(N)C(=O)N(C)Cc1nc(C(F)(F)F)cs1.
What is the InChIKey of 2-amino-N,3-dimethyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pentanamide?
The InChIKey is SALJLYYIOBGVTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3OS/c1-4-7(2)10(16)11(19)18(3)5-9-17-8(6-20-9)12(13,14)15/h6-7,10H,4-5,16H2,1-3H3.
What are the key properties of 2-amino-N,3-dimethyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pentanamide?
2-amino-N,3-dimethyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pentanamide has a molecular weight of 309.36 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N,3-dimethyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pentanamide is sourced from PubChem (CID 119813025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).