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

C10H13ClN2O2S — CID 64557492

IUPACN-(4-acetyl-1,3-thiazol-2-yl)-3-chloro-2,2-dimethylpropanamide
SMILESCC(=O)c1csc(NC(=O)C(C)(C)CCl)n1
InChIInChI=1S/C10H13ClN2O2S/c1-6(14)7-4-16-9(12-7)13-8(15)10(2,3)5-11/h4H,5H2,1-3H3,(H,12,13,15)
InChIKeyFNLPLKBPAWJYFT-UHFFFAOYSA-N
MW260.75 g/mol
LogP2.55
Rot. Bonds4

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

N-(4-acetyl-1,3-thiazol-2-yl)-3-chloro-2,2-dimethylpropanamide (PubChem CID 64557492) has the molecular formula C10H13ClN2O2S and a molecular weight of 260.75 g/mol. Its IUPAC name is N-(4-acetyl-1,3-thiazol-2-yl)-3-chloro-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(4-acetyl-1,3-thiazol-2-yl)-3-chloro-2,2-dimethylpropanamide
PubChem CID64557492
Molecular FormulaC10H13ClN2O2S
Molecular Weight260.75 g/mol
Exact Mass260.04
IUPAC NameN-(4-acetyl-1,3-thiazol-2-yl)-3-chloro-2,2-dimethylpropanamide
SMILESCC(=O)c1csc(NC(=O)C(C)(C)CCl)n1
InChIInChI=1S/C10H13ClN2O2S/c1-6(14)7-4-16-9(12-7)13-8(15)10(2,3)5-11/h4H,5H2,1-3H3,(H,12,13,15)
InChIKeyFNLPLKBPAWJYFT-UHFFFAOYSA-N
XLogP2.55
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.75
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(4-acetyl-1,3-thiazol-2-yl)-3-(tert-butylamino)propanamide
CID 64556718
3-chloro-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
CID 63679014
N-(4-acetyl-1,3-thiazol-2-yl)-2-propylpentanamide
CID 115532303
(2S)-N-(4-acetyl-1,3-thiazol-2-yl)-2-amino-3,3-dimethylbutanamide
CID 64557720
3-(4-acetyl-1,3-thiazol-2-yl)-1,1-dimethylurea
CID 79153632
N-(4-acetyl-1,3-thiazol-2-yl)-4-aminobutanamide
CID 64556533
4-[(4-acetyl-1,3-thiazol-2-yl)amino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid
CID 64558465
N-[4-(chloromethyl)-1,3-thiazol-2-yl]-2,2-dimethylbutanamide
CID 62679182
N-(4-acetyl-1,3-thiazol-2-yl)decanamide
CID 60729978
N-(4-acetyl-1,3-thiazol-2-yl)-4-tert-butylthiadiazole-5-carboxamide
CID 65205330
2-[2-[(4-acetyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanylacetic acid
CID 104570013
N-(4-acetyl-1,3-thiazol-2-yl)-3-(propan-2-ylamino)propanamide
CID 64557705

Frequently Asked Questions

What is the IUPAC name of N-(4-acetyl-1,3-thiazol-2-yl)-3-chloro-2,2-dimethylpropanamide?
The IUPAC name of N-(4-acetyl-1,3-thiazol-2-yl)-3-chloro-2,2-dimethylpropanamide (CID 64557492) is N-(4-acetyl-1,3-thiazol-2-yl)-3-chloro-2,2-dimethylpropanamide.
What is the SMILES notation for N-(4-acetyl-1,3-thiazol-2-yl)-3-chloro-2,2-dimethylpropanamide?
The canonical SMILES for N-(4-acetyl-1,3-thiazol-2-yl)-3-chloro-2,2-dimethylpropanamide is CC(=O)c1csc(NC(=O)C(C)(C)CCl)n1.
What is the InChIKey of N-(4-acetyl-1,3-thiazol-2-yl)-3-chloro-2,2-dimethylpropanamide?
The InChIKey is FNLPLKBPAWJYFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O2S/c1-6(14)7-4-16-9(12-7)13-8(15)10(2,3)5-11/h4H,5H2,1-3H3,(H,12,13,15).
What are the key properties of N-(4-acetyl-1,3-thiazol-2-yl)-3-chloro-2,2-dimethylpropanamide?
N-(4-acetyl-1,3-thiazol-2-yl)-3-chloro-2,2-dimethylpropanamide has a molecular weight of 260.75 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetyl-1,3-thiazol-2-yl)-3-chloro-2,2-dimethylpropanamide is sourced from PubChem (CID 64557492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).