2-amino-4-methyl-N-(1,3-thiazol-2-yl)pentanamide

C9H15N3OS — CID 24701450

IUPAC2-amino-4-methyl-N-(1,3-thiazol-2-yl)pentanamide
SMILESCC(C)CC(N)C(=O)Nc1nccs1
InChIInChI=1S/C9H15N3OS/c1-6(2)5-7(10)8(13)12-9-11-3-4-14-9/h3-4,6-7H,5,10H2,1-2H3,(H,11,12,13)
InChIKeyDVYUPIGMLMFLTJ-UHFFFAOYSA-N
MW213.31 g/mol
LogP1.46
Rot. Bonds4

About 2-amino-4-methyl-N-(1,3-thiazol-2-yl)pentanamide

2-amino-4-methyl-N-(1,3-thiazol-2-yl)pentanamide (PubChem CID 24701450) has the molecular formula C9H15N3OS and a molecular weight of 213.31 g/mol. Its IUPAC name is 2-amino-4-methyl-N-(1,3-thiazol-2-yl)pentanamide.

Molecular Properties

Compound Name2-amino-4-methyl-N-(1,3-thiazol-2-yl)pentanamide
PubChem CID24701450
Molecular FormulaC9H15N3OS
Molecular Weight213.31 g/mol
Exact Mass213.09
IUPAC Name2-amino-4-methyl-N-(1,3-thiazol-2-yl)pentanamide
SMILESCC(C)CC(N)C(=O)Nc1nccs1
InChIInChI=1S/C9H15N3OS/c1-6(2)5-7(10)8(13)12-9-11-3-4-14-9/h3-4,6-7H,5,10H2,1-2H3,(H,11,12,13)
InChIKeyDVYUPIGMLMFLTJ-UHFFFAOYSA-N
XLogP1.46
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.31
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N1-Cyclopentyl-N2-(thiazol-2-YL)oxalamide
CID 2255489
2,2-dimethyl-N-(1,3-thiazol-2-yl)propanamide
CID 2834959
2-cyclopentyl-N-(1,3-thiazol-2-yl)acetamide
CID 2666601
2-(4-methylpiperidin-1-yl)-N-(1,3-thiazol-2-yl)acetamide
CID 2976467
1-[2-Oxo-2-(1,3-thiazol-2-ylamino)ethyl]piperidine-4-carboxamide
CID 6462725
3-cyclohexyl-N-(1,3-thiazol-2-yl)propanamide
CID 711478
N-Cyclohexyl-N-[(3-methyl-butylcarbamoyl)-methyl]-N'-thiazol-2-yl-succinamide
CID 3205668
(2R)-2-[(1S)-1-[formyl(hydroxy)amino]ethyl]-4-methyl-N-[(2S)-3-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl]pentanamide
CID 44308297
(2R)-2-[(1S)-1-[formyl(hydroxy)amino]ethyl]-4-methyl-N-[(2S,3S)-3-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)pentan-2-yl]pentanamide
CID 44308298
(2R)-2-[(1S)-1-[formyl(hydroxy)amino]ethyl]-4-methyl-N-[(2S)-4-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)pentan-2-yl]pentanamide
CID 44308304
2-methyl-N-(1,3-thiazol-2-yl)butanamide
CID 3140495
N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 18072276

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methyl-N-(1,3-thiazol-2-yl)pentanamide?
The IUPAC name of 2-amino-4-methyl-N-(1,3-thiazol-2-yl)pentanamide (CID 24701450) is 2-amino-4-methyl-N-(1,3-thiazol-2-yl)pentanamide.
What is the SMILES notation for 2-amino-4-methyl-N-(1,3-thiazol-2-yl)pentanamide?
The canonical SMILES for 2-amino-4-methyl-N-(1,3-thiazol-2-yl)pentanamide is CC(C)CC(N)C(=O)Nc1nccs1.
What is the InChIKey of 2-amino-4-methyl-N-(1,3-thiazol-2-yl)pentanamide?
The InChIKey is DVYUPIGMLMFLTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3OS/c1-6(2)5-7(10)8(13)12-9-11-3-4-14-9/h3-4,6-7H,5,10H2,1-2H3,(H,11,12,13).
What are the key properties of 2-amino-4-methyl-N-(1,3-thiazol-2-yl)pentanamide?
2-amino-4-methyl-N-(1,3-thiazol-2-yl)pentanamide has a molecular weight of 213.31 g/mol, XLogP of 1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methyl-N-(1,3-thiazol-2-yl)pentanamide is sourced from PubChem (CID 24701450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).