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

C10H15ClF3N3OS — CID 119328988

IUPAC2-amino-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pentanamide;hydrochloride
SMILESCCCC(N)C(=O)NCc1nc(C(F)(F)F)cs1.Cl
InChIInChI=1S/C10H14F3N3OS.ClH/c1-2-3-6(14)9(17)15-4-8-16-7(5-18-8)10(11,12)13;/h5-6H,2-4,14H2,1H3,(H,15,17);1H
InChIKeyWOLYLLXQRYPWIG-UHFFFAOYSA-N
MW317.76 g/mol
LogP2.33
Rot. Bonds5

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

2-amino-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pentanamide;hydrochloride (PubChem CID 119328988) has the molecular formula C10H15ClF3N3OS and a molecular weight of 317.76 g/mol. Its IUPAC name is 2-amino-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pentanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pentanamide;hydrochloride
PubChem CID119328988
Molecular FormulaC10H15ClF3N3OS
Molecular Weight317.76 g/mol
Exact Mass317.06
IUPAC Name2-amino-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pentanamide;hydrochloride
SMILESCCCC(N)C(=O)NCc1nc(C(F)(F)F)cs1.Cl
InChIInChI=1S/C10H14F3N3OS.ClH/c1-2-3-6(14)9(17)15-4-8-16-7(5-18-8)10(11,12)13;/h5-6H,2-4,14H2,1H3,(H,15,17);1H
InChIKeyWOLYLLXQRYPWIG-UHFFFAOYSA-N
XLogP2.33
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.76
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-3-oxo-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methylamino]propanoic acid
CID 122065646
2-amino-2-(4-methylphenyl)-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]acetamide
CID 120668636
1-(3-ethyl-2-hydroxypentyl)-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]urea
CID 111450720
2-amino-N-(1,3-thiazol-2-ylmethyl)pentanamide
CID 61283682
4-amino-3-methoxy-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]butanamide;hydrochloride
CID 120592709
2-amino-N-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]pentanamide
CID 119338432
2-amino-2-(oxan-4-yl)-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]acetamide
CID 120793994
(2S)-2-amino-3-phenyl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]propanamide
CID 119336013
2-(2-aminoethyl)-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-1,3-thiazole-4-carboxamide
CID 120634282
1-amino-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]cyclohexane-1-carboxamide
CID 119328993
1-butyl-2-methyl-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]guanidine
CID 111615403
(2R)-2-amino-N-[(3-ethylthiophen-2-yl)methyl]pentanamide
CID 103797879

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pentanamide;hydrochloride?
The IUPAC name of 2-amino-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pentanamide;hydrochloride (CID 119328988) is 2-amino-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pentanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pentanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pentanamide;hydrochloride is CCCC(N)C(=O)NCc1nc(C(F)(F)F)cs1.Cl.
What is the InChIKey of 2-amino-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pentanamide;hydrochloride?
The InChIKey is WOLYLLXQRYPWIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3OS.ClH/c1-2-3-6(14)9(17)15-4-8-16-7(5-18-8)10(11,12)13;/h5-6H,2-4,14H2,1H3,(H,15,17);1H.
What are the key properties of 2-amino-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pentanamide;hydrochloride?
2-amino-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pentanamide;hydrochloride has a molecular weight of 317.76 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pentanamide;hydrochloride is sourced from PubChem (CID 119328988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).