3-amino-N,5,5-trimethyl-N-(1,3-thiazol-4-ylmethyl)hexanamide

C13H23N3OS — CID 113497026

IUPAC3-amino-N,5,5-trimethyl-N-(1,3-thiazol-4-ylmethyl)hexanamide
SMILESCN(Cc1cscn1)C(=O)CC(N)CC(C)(C)C
InChIInChI=1S/C13H23N3OS/c1-13(2,3)6-10(14)5-12(17)16(4)7-11-8-18-9-15-11/h8-10H,5-7,14H2,1-4H3
InChIKeyKHYCDGDUVRKQNT-UHFFFAOYSA-N
MW269.41 g/mol
LogP2.26
Rot. Bonds5

About 3-amino-N,5,5-trimethyl-N-(1,3-thiazol-4-ylmethyl)hexanamide

3-amino-N,5,5-trimethyl-N-(1,3-thiazol-4-ylmethyl)hexanamide (PubChem CID 113497026) has the molecular formula C13H23N3OS and a molecular weight of 269.41 g/mol. Its IUPAC name is 3-amino-N,5,5-trimethyl-N-(1,3-thiazol-4-ylmethyl)hexanamide.

Molecular Properties

Compound Name3-amino-N,5,5-trimethyl-N-(1,3-thiazol-4-ylmethyl)hexanamide
PubChem CID113497026
Molecular FormulaC13H23N3OS
Molecular Weight269.41 g/mol
Exact Mass269.16
IUPAC Name3-amino-N,5,5-trimethyl-N-(1,3-thiazol-4-ylmethyl)hexanamide
SMILESCN(Cc1cscn1)C(=O)CC(N)CC(C)(C)C
InChIInChI=1S/C13H23N3OS/c1-13(2,3)6-10(14)5-12(17)16(4)7-11-8-18-9-15-11/h8-10H,5-7,14H2,1-4H3
InChIKeyKHYCDGDUVRKQNT-UHFFFAOYSA-N
XLogP2.26
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(aminomethyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)pentanamide
CID 81087719
3-amino-4-[methyl(1,3-thiazol-4-ylmethyl)amino]-4-oxobutanoic acid
CID 64896543
(2R)-2-amino-N-methyl-N-(1,3-thiazol-4-ylmethyl)propanamide
CID 78974670
(2S)-2-amino-N-methyl-N-(1,3-thiazol-4-ylmethyl)pentanamide
CID 107569472
3-amino-N,2-dimethyl-N-(1,3-thiazol-4-ylmethyl)butanamide;dihydrochloride
CID 120503373
(3R)-3-amino-3-(3,4-dimethoxyphenyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)propanamide
CID 125444046
(2R)-2-amino-N-methyl-4-methylsulfanyl-N-(1,3-thiazol-4-ylmethyl)butanamide
CID 104908271
2,2,2-trifluoro-N-methyl-N-(1,3-thiazol-4-ylmethyl)acetamide
CID 62729172
3-amino-N,2-dimethyl-N-(1,3-thiazol-4-ylmethyl)propanamide
CID 62668943
7-amino-N-methyl-N-(1,3-thiazol-4-ylmethyl)heptanamide;dihydrochloride
CID 119864882
5-bromo-N-methyl-N-(1,3-thiazol-4-ylmethyl)pentanamide
CID 107909892
ethyl 2-[methyl(1,3-thiazol-4-ylmethyl)amino]butanoate
CID 64662480

Frequently Asked Questions

What is the IUPAC name of 3-amino-N,5,5-trimethyl-N-(1,3-thiazol-4-ylmethyl)hexanamide?
The IUPAC name of 3-amino-N,5,5-trimethyl-N-(1,3-thiazol-4-ylmethyl)hexanamide (CID 113497026) is 3-amino-N,5,5-trimethyl-N-(1,3-thiazol-4-ylmethyl)hexanamide.
What is the SMILES notation for 3-amino-N,5,5-trimethyl-N-(1,3-thiazol-4-ylmethyl)hexanamide?
The canonical SMILES for 3-amino-N,5,5-trimethyl-N-(1,3-thiazol-4-ylmethyl)hexanamide is CN(Cc1cscn1)C(=O)CC(N)CC(C)(C)C.
What is the InChIKey of 3-amino-N,5,5-trimethyl-N-(1,3-thiazol-4-ylmethyl)hexanamide?
The InChIKey is KHYCDGDUVRKQNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3OS/c1-13(2,3)6-10(14)5-12(17)16(4)7-11-8-18-9-15-11/h8-10H,5-7,14H2,1-4H3.
What are the key properties of 3-amino-N,5,5-trimethyl-N-(1,3-thiazol-4-ylmethyl)hexanamide?
3-amino-N,5,5-trimethyl-N-(1,3-thiazol-4-ylmethyl)hexanamide has a molecular weight of 269.41 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N,5,5-trimethyl-N-(1,3-thiazol-4-ylmethyl)hexanamide is sourced from PubChem (CID 113497026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).