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

C10H15ClF3N3OS — CID 119813026

IUPAC3-amino-N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]butanamide;hydrochloride
SMILESCC(N)CC(=O)N(C)Cc1nc(C(F)(F)F)cs1.Cl
InChIInChI=1S/C10H14F3N3OS.ClH/c1-6(14)3-9(17)16(2)4-8-15-7(5-18-8)10(11,12)13;/h5-6H,3-4,14H2,1-2H3;1H
InChIKeyHTGYYRZTANFGRK-UHFFFAOYSA-N
MW317.76 g/mol
LogP2.28
Rot. Bonds4

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

3-amino-N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]butanamide;hydrochloride (PubChem CID 119813026) has the molecular formula C10H15ClF3N3OS and a molecular weight of 317.76 g/mol. Its IUPAC name is 3-amino-N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]butanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]butanamide;hydrochloride
PubChem CID119813026
Molecular FormulaC10H15ClF3N3OS
Molecular Weight317.76 g/mol
Exact Mass317.06
IUPAC Name3-amino-N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]butanamide;hydrochloride
SMILESCC(N)CC(=O)N(C)Cc1nc(C(F)(F)F)cs1.Cl
InChIInChI=1S/C10H14F3N3OS.ClH/c1-6(14)3-9(17)16(2)4-8-15-7(5-18-8)10(11,12)13;/h5-6H,3-4,14H2,1-2H3;1H
InChIKeyHTGYYRZTANFGRK-UHFFFAOYSA-N
XLogP2.28
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.76
LogP ≤ 52.28
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
N-methyl-3-piperidin-4-yl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]butanamide;hydrochloride
CID 119813020
2-amino-N,3-dimethyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pentanamide
CID 119813025
2-(4-chlorophenyl)-N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]acetamide
CID 122144134
2-amino-N-methyl-3-phenyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]propanamide;hydrochloride
CID 84588637
N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]cyclopentanecarboxamide
CID 71983767
2-(2-aminoethyl)-N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-1,3-thiazole-4-carboxamide
CID 120637590
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]acetamide
CID 119813017
N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119340397
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
4-amino-5-chloro-2-methoxy-N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]benzamide;hydrochloride
CID 119813032

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]butanamide;hydrochloride?
The IUPAC name of 3-amino-N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]butanamide;hydrochloride (CID 119813026) is 3-amino-N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]butanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]butanamide;hydrochloride?
The canonical SMILES for 3-amino-N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]butanamide;hydrochloride is CC(N)CC(=O)N(C)Cc1nc(C(F)(F)F)cs1.Cl.
What is the InChIKey of 3-amino-N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]butanamide;hydrochloride?
The InChIKey is HTGYYRZTANFGRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3OS.ClH/c1-6(14)3-9(17)16(2)4-8-15-7(5-18-8)10(11,12)13;/h5-6H,3-4,14H2,1-2H3;1H.
What are the key properties of 3-amino-N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]butanamide;hydrochloride?
3-amino-N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]butanamide;hydrochloride has a molecular weight of 317.76 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]butanamide;hydrochloride is sourced from PubChem (CID 119813026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).