N-(4-acetyl-1,3-thiazol-2-yl)-4-aminobutanamide

C9H13N3O2S — CID 64556533

IUPACN-(4-acetyl-1,3-thiazol-2-yl)-4-aminobutanamide
SMILESCC(=O)c1csc(NC(=O)CCCN)n1
InChIInChI=1S/C9H13N3O2S/c1-6(13)7-5-15-9(11-7)12-8(14)3-2-4-10/h5H,2-4,10H2,1H3,(H,11,12,14)
InChIKeyUCVHASBBVVEYSC-UHFFFAOYSA-N
MW227.29 g/mol
LogP1.02
Rot. Bonds5

About N-(4-acetyl-1,3-thiazol-2-yl)-4-aminobutanamide

N-(4-acetyl-1,3-thiazol-2-yl)-4-aminobutanamide (PubChem CID 64556533) has the molecular formula C9H13N3O2S and a molecular weight of 227.29 g/mol. Its IUPAC name is N-(4-acetyl-1,3-thiazol-2-yl)-4-aminobutanamide.

Molecular Properties

Compound NameN-(4-acetyl-1,3-thiazol-2-yl)-4-aminobutanamide
PubChem CID64556533
Molecular FormulaC9H13N3O2S
Molecular Weight227.29 g/mol
Exact Mass227.07
IUPAC NameN-(4-acetyl-1,3-thiazol-2-yl)-4-aminobutanamide
SMILESCC(=O)c1csc(NC(=O)CCCN)n1
InChIInChI=1S/C9H13N3O2S/c1-6(13)7-5-15-9(11-7)12-8(14)3-2-4-10/h5H,2-4,10H2,1H3,(H,11,12,14)
InChIKeyUCVHASBBVVEYSC-UHFFFAOYSA-N
XLogP1.02
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.29
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-acetyl-1,3-thiazol-2-yl)decanamide
CID 60729978
4-amino-N-(4-propan-2-yl-1,3-thiazol-2-yl)butanamide
CID 61482708
N-(4-acetyl-1,3-thiazol-2-yl)-4-(4-chlorophenyl)sulfanylbutanamide
CID 134030860
N-(4-acetyl-1,3-thiazol-2-yl)-3-(tert-butylamino)propanamide
CID 64556718
N-(4-acetyl-1,3-thiazol-2-yl)-3-(propan-2-ylamino)propanamide
CID 64557705
N-[4-[(4-acetyl-1,3-thiazol-2-yl)amino]-4-oxobutyl]-4-chlorobenzamide
CID 26469275
N-(4-acetyl-1,3-thiazol-2-yl)-2-[1-(aminomethyl)cyclohexyl]acetamide
CID 104678293
N-(4-acetyl-1,3-thiazol-2-yl)-3-(2-fluorophenyl)propanamide
CID 47121377
2-[2-[(4-acetyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanylacetic acid
CID 104570013
(2S)-N-(4-acetyl-1,3-thiazol-2-yl)-2-amino-3,3-dimethylbutanamide
CID 64557720
4-amino-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]butanamide
CID 82033947
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-7-aminoheptanamide
CID 119676243

Frequently Asked Questions

What is the IUPAC name of N-(4-acetyl-1,3-thiazol-2-yl)-4-aminobutanamide?
The IUPAC name of N-(4-acetyl-1,3-thiazol-2-yl)-4-aminobutanamide (CID 64556533) is N-(4-acetyl-1,3-thiazol-2-yl)-4-aminobutanamide.
What is the SMILES notation for N-(4-acetyl-1,3-thiazol-2-yl)-4-aminobutanamide?
The canonical SMILES for N-(4-acetyl-1,3-thiazol-2-yl)-4-aminobutanamide is CC(=O)c1csc(NC(=O)CCCN)n1.
What is the InChIKey of N-(4-acetyl-1,3-thiazol-2-yl)-4-aminobutanamide?
The InChIKey is UCVHASBBVVEYSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2S/c1-6(13)7-5-15-9(11-7)12-8(14)3-2-4-10/h5H,2-4,10H2,1H3,(H,11,12,14).
What are the key properties of N-(4-acetyl-1,3-thiazol-2-yl)-4-aminobutanamide?
N-(4-acetyl-1,3-thiazol-2-yl)-4-aminobutanamide has a molecular weight of 227.29 g/mol, XLogP of 1.02, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetyl-1,3-thiazol-2-yl)-4-aminobutanamide is sourced from PubChem (CID 64556533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).