N-(4-acetyl-1,3-thiazol-2-yl)-3-(propan-2-ylamino)propanamide

C11H17N3O2S — CID 64557705

IUPACN-(4-acetyl-1,3-thiazol-2-yl)-3-(propan-2-ylamino)propanamide
SMILESCC(=O)c1csc(NC(=O)CCNC(C)C)n1
InChIInChI=1S/C11H17N3O2S/c1-7(2)12-5-4-10(16)14-11-13-9(6-17-11)8(3)15/h6-7,12H,4-5H2,1-3H3,(H,13,14,16)
InChIKeySZHVMMYKQKIZLY-UHFFFAOYSA-N
MW255.34 g/mol
LogP1.67
Rot. Bonds6

About N-(4-acetyl-1,3-thiazol-2-yl)-3-(propan-2-ylamino)propanamide

N-(4-acetyl-1,3-thiazol-2-yl)-3-(propan-2-ylamino)propanamide (PubChem CID 64557705) has the molecular formula C11H17N3O2S and a molecular weight of 255.34 g/mol. Its IUPAC name is N-(4-acetyl-1,3-thiazol-2-yl)-3-(propan-2-ylamino)propanamide.

Molecular Properties

Compound NameN-(4-acetyl-1,3-thiazol-2-yl)-3-(propan-2-ylamino)propanamide
PubChem CID64557705
Molecular FormulaC11H17N3O2S
Molecular Weight255.34 g/mol
Exact Mass255.10
IUPAC NameN-(4-acetyl-1,3-thiazol-2-yl)-3-(propan-2-ylamino)propanamide
SMILESCC(=O)c1csc(NC(=O)CCNC(C)C)n1
InChIInChI=1S/C11H17N3O2S/c1-7(2)12-5-4-10(16)14-11-13-9(6-17-11)8(3)15/h6-7,12H,4-5H2,1-3H3,(H,13,14,16)
InChIKeySZHVMMYKQKIZLY-UHFFFAOYSA-N
XLogP1.67
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-acetyl-1,3-thiazol-2-yl)-3-(tert-butylamino)propanamide
CID 64556718
N-(4-methyl-1,3-thiazol-2-yl)-4-(propan-2-ylamino)butanamide
CID 60850227
4-(propan-2-ylamino)-N-(4-propan-2-yl-1,3-thiazol-2-yl)butanamide
CID 54958630
N-(4-acetyl-1,3-thiazol-2-yl)-4-aminobutanamide
CID 64556533
N-(4-acetyl-1,3-thiazol-2-yl)-3-[(2S)-4-methylpentan-2-yl]oxypropanamide
CID 97013466
N-(4-acetyl-1,3-thiazol-2-yl)decanamide
CID 60729978
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
N-(4-acetyl-1,3-thiazol-2-yl)-2-cyclohexylacetamide
CID 60717010
N-(4-acetyl-1,3-thiazol-2-yl)-2-cycloheptylacetamide
CID 115681438
N-(4-acetyl-1,3-thiazol-2-yl)-2-[1-(aminomethyl)cyclohexyl]acetamide
CID 104678293
2-[2-[(4-acetyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanylacetic acid
CID 104570013

Frequently Asked Questions

What is the IUPAC name of N-(4-acetyl-1,3-thiazol-2-yl)-3-(propan-2-ylamino)propanamide?
The IUPAC name of N-(4-acetyl-1,3-thiazol-2-yl)-3-(propan-2-ylamino)propanamide (CID 64557705) is N-(4-acetyl-1,3-thiazol-2-yl)-3-(propan-2-ylamino)propanamide.
What is the SMILES notation for N-(4-acetyl-1,3-thiazol-2-yl)-3-(propan-2-ylamino)propanamide?
The canonical SMILES for N-(4-acetyl-1,3-thiazol-2-yl)-3-(propan-2-ylamino)propanamide is CC(=O)c1csc(NC(=O)CCNC(C)C)n1.
What is the InChIKey of N-(4-acetyl-1,3-thiazol-2-yl)-3-(propan-2-ylamino)propanamide?
The InChIKey is SZHVMMYKQKIZLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2S/c1-7(2)12-5-4-10(16)14-11-13-9(6-17-11)8(3)15/h6-7,12H,4-5H2,1-3H3,(H,13,14,16).
What are the key properties of N-(4-acetyl-1,3-thiazol-2-yl)-3-(propan-2-ylamino)propanamide?
N-(4-acetyl-1,3-thiazol-2-yl)-3-(propan-2-ylamino)propanamide has a molecular weight of 255.34 g/mol, XLogP of 1.67, 6 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-(propan-2-ylamino)propanamide is sourced from PubChem (CID 64557705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).