N-(4-acetyl-1,3-thiazol-2-yl)-3-(tert-butylamino)propanamide

C12H19N3O2S — CID 64556718

IUPACN-(4-acetyl-1,3-thiazol-2-yl)-3-(tert-butylamino)propanamide
SMILESCC(=O)c1csc(NC(=O)CCNC(C)(C)C)n1
InChIInChI=1S/C12H19N3O2S/c1-8(16)9-7-18-11(14-9)15-10(17)5-6-13-12(2,3)4/h7,13H,5-6H2,1-4H3,(H,14,15,17)
InChIKeyWGYIDVJMSFLKHK-UHFFFAOYSA-N
MW269.37 g/mol
LogP2.06
Rot. Bonds5

About N-(4-acetyl-1,3-thiazol-2-yl)-3-(tert-butylamino)propanamide

N-(4-acetyl-1,3-thiazol-2-yl)-3-(tert-butylamino)propanamide (PubChem CID 64556718) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is N-(4-acetyl-1,3-thiazol-2-yl)-3-(tert-butylamino)propanamide.

Molecular Properties

Compound NameN-(4-acetyl-1,3-thiazol-2-yl)-3-(tert-butylamino)propanamide
PubChem CID64556718
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC NameN-(4-acetyl-1,3-thiazol-2-yl)-3-(tert-butylamino)propanamide
SMILESCC(=O)c1csc(NC(=O)CCNC(C)(C)C)n1
InChIInChI=1S/C12H19N3O2S/c1-8(16)9-7-18-11(14-9)15-10(17)5-6-13-12(2,3)4/h7,13H,5-6H2,1-4H3,(H,14,15,17)
InChIKeyWGYIDVJMSFLKHK-UHFFFAOYSA-N
XLogP2.06
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-acetyl-1,3-thiazol-2-yl)-3-(propan-2-ylamino)propanamide
CID 64557705
N-(4-acetyl-1,3-thiazol-2-yl)-4-aminobutanamide
CID 64556533
N-(4-acetyl-1,3-thiazol-2-yl)decanamide
CID 60729978
N-(4-acetyl-1,3-thiazol-2-yl)-3-chloro-2,2-dimethylpropanamide
CID 64557492
N-(4-acetyl-1,3-thiazol-2-yl)-3-cyclohexylpropanamide
CID 24634046
4-[(4-acetyl-1,3-thiazol-2-yl)amino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid
CID 64558465
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
N-(4-acetyl-1,3-thiazol-2-yl)-3-thiophen-3-ylpropanamide
CID 17444833
N-(4-acetyl-1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 86998010
3-(4-acetyl-1,3-thiazol-2-yl)-1,1-dimethylurea
CID 79153632
N-[3-[(4-acetyl-1,3-thiazol-2-yl)amino]-3-oxopropyl]naphthalene-2-carboxamide
CID 55583002

Frequently Asked Questions

What is the IUPAC name of N-(4-acetyl-1,3-thiazol-2-yl)-3-(tert-butylamino)propanamide?
The IUPAC name of N-(4-acetyl-1,3-thiazol-2-yl)-3-(tert-butylamino)propanamide (CID 64556718) is N-(4-acetyl-1,3-thiazol-2-yl)-3-(tert-butylamino)propanamide.
What is the SMILES notation for N-(4-acetyl-1,3-thiazol-2-yl)-3-(tert-butylamino)propanamide?
The canonical SMILES for N-(4-acetyl-1,3-thiazol-2-yl)-3-(tert-butylamino)propanamide is CC(=O)c1csc(NC(=O)CCNC(C)(C)C)n1.
What is the InChIKey of N-(4-acetyl-1,3-thiazol-2-yl)-3-(tert-butylamino)propanamide?
The InChIKey is WGYIDVJMSFLKHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S/c1-8(16)9-7-18-11(14-9)15-10(17)5-6-13-12(2,3)4/h7,13H,5-6H2,1-4H3,(H,14,15,17).
What are the key properties of N-(4-acetyl-1,3-thiazol-2-yl)-3-(tert-butylamino)propanamide?
N-(4-acetyl-1,3-thiazol-2-yl)-3-(tert-butylamino)propanamide has a molecular weight of 269.37 g/mol, XLogP of 2.06, 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)-3-(tert-butylamino)propanamide is sourced from PubChem (CID 64556718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).