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

C13H23N3OS — CID 119879076

IUPAC(2S)-2-amino-4-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]pentanamide
SMILESCCC(NC(=O)[C@@H](N)CC(C)C)c1nc(C)cs1
InChIInChI=1S/C13H23N3OS/c1-5-11(13-15-9(4)7-18-13)16-12(17)10(14)6-8(2)3/h7-8,10-11H,5-6,14H2,1-4H3,(H,16,17)/t10-,11?/m0/s1
InChIKeySFHDKSIGRUCFEN-VUWPPUDQSA-N
MW269.41 g/mol
LogP2.39
Rot. Bonds6

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

(2S)-2-amino-4-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]pentanamide (PubChem CID 119879076) has the molecular formula C13H23N3OS and a molecular weight of 269.41 g/mol. Its IUPAC name is (2S)-2-amino-4-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-4-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]pentanamide
PubChem CID119879076
Molecular FormulaC13H23N3OS
Molecular Weight269.41 g/mol
Exact Mass269.16
IUPAC Name(2S)-2-amino-4-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]pentanamide
SMILESCCC(NC(=O)[C@@H](N)CC(C)C)c1nc(C)cs1
InChIInChI=1S/C13H23N3OS/c1-5-11(13-15-9(4)7-18-13)16-12(17)10(14)6-8(2)3/h7-8,10-11H,5-6,14H2,1-4H3,(H,16,17)/t10-,11?/m0/s1
InChIKeySFHDKSIGRUCFEN-VUWPPUDQSA-N
XLogP2.39
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]acetamide;dihydrochloride
CID 119879043
4-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]benzene-1,4-dicarboxamide
CID 119121653
1-amino-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]cyclopropane-1-carboxamide;dihydrochloride
CID 119878993
(2R)-2-amino-4-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pentanamide
CID 95035833
cis-(1S,3R)-2,2-dimethyl-3-[1-(4-methyl-1,3-thiazol-2-yl)propylcarbamoyl]cyclopropane-1-carboxylic acid
CID 122065524
N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]butan-2-amine
CID 115717784
2,2-dimethyl-4-[1-(4-methyl-1,3-thiazol-2-yl)propylamino]-4-oxobutanoic acid
CID 119133807
(1S)-2,2-dichloro-1-methyl-N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)propyl]cyclopropane-1-carboxamide
CID 95334068
2-(dimethylamino)-N-[3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butyl]-2-phenylacetamide
CID 110628639
4-(methylamino)-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]butanamide;dihydrochloride
CID 119879007
2-amino-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide;dihydrochloride
CID 119875872
4-(2-amino-2-oxoethoxy)-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]benzamide
CID 119121657

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]pentanamide?
The IUPAC name of (2S)-2-amino-4-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]pentanamide (CID 119879076) is (2S)-2-amino-4-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]pentanamide.
What is the SMILES notation for (2S)-2-amino-4-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]pentanamide?
The canonical SMILES for (2S)-2-amino-4-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]pentanamide is CCC(NC(=O)[C@@H](N)CC(C)C)c1nc(C)cs1.
What is the InChIKey of (2S)-2-amino-4-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]pentanamide?
The InChIKey is SFHDKSIGRUCFEN-VUWPPUDQSA-N. The full InChI is InChI=1S/C13H23N3OS/c1-5-11(13-15-9(4)7-18-13)16-12(17)10(14)6-8(2)3/h7-8,10-11H,5-6,14H2,1-4H3,(H,16,17)/t10-,11?/m0/s1.
What are the key properties of (2S)-2-amino-4-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]pentanamide?
(2S)-2-amino-4-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]pentanamide has a molecular weight of 269.41 g/mol, XLogP of 2.39, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]pentanamide is sourced from PubChem (CID 119879076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).