N-[[4-(4-acetyl-1,3-thiazol-2-yl)-1,3-thiazol-2-yl]methyl]-3-(1-chlorocyclopropyl)-3-oxopropanamide

C15H14ClN3O3S2 — CID 157050336

IUPACN-[[4-(4-acetyl-1,3-thiazol-2-yl)-1,3-thiazol-2-yl]methyl]-3-(1-chlorocyclopropyl)-3-oxopropanamide
SMILESCC(=O)c1csc(-c2csc(CNC(=O)CC(=O)C3(Cl)CC3)n2)n1
InChIInChI=1S/C15H14ClN3O3S2/c1-8(20)9-6-24-14(19-9)10-7-23-13(18-10)5-17-12(22)4-11(21)15(16)2-3-15/h6-7H,2-5H2,1H3,(H,17,22)
InChIKeyZGHKYPUIMXCMQC-UHFFFAOYSA-N
MW383.88 g/mol
LogP2.82
Rot. Bonds7

About N-[[4-(4-acetyl-1,3-thiazol-2-yl)-1,3-thiazol-2-yl]methyl]-3-(1-chlorocyclopropyl)-3-oxopropanamide

N-[[4-(4-acetyl-1,3-thiazol-2-yl)-1,3-thiazol-2-yl]methyl]-3-(1-chlorocyclopropyl)-3-oxopropanamide (PubChem CID 157050336) has the molecular formula C15H14ClN3O3S2 and a molecular weight of 383.88 g/mol. Its IUPAC name is N-[[4-(4-acetyl-1,3-thiazol-2-yl)-1,3-thiazol-2-yl]methyl]-3-(1-chlorocyclopropyl)-3-oxopropanamide.

Molecular Properties

Compound NameN-[[4-(4-acetyl-1,3-thiazol-2-yl)-1,3-thiazol-2-yl]methyl]-3-(1-chlorocyclopropyl)-3-oxopropanamide
PubChem CID157050336
Molecular FormulaC15H14ClN3O3S2
Molecular Weight383.88 g/mol
Exact Mass383.02
IUPAC NameN-[[4-(4-acetyl-1,3-thiazol-2-yl)-1,3-thiazol-2-yl]methyl]-3-(1-chlorocyclopropyl)-3-oxopropanamide
SMILESCC(=O)c1csc(-c2csc(CNC(=O)CC(=O)C3(Cl)CC3)n2)n1
InChIInChI=1S/C15H14ClN3O3S2/c1-8(20)9-6-24-14(19-9)10-7-23-13(18-10)5-17-12(22)4-11(21)15(16)2-3-15/h6-7H,2-5H2,1H3,(H,17,22)
InChIKeyZGHKYPUIMXCMQC-UHFFFAOYSA-N
XLogP2.82
TPSA89.02 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.88
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-[2-[4-(4-acetyl-1,3-thiazol-2-yl)-1,3-thiazol-2-yl]ethyl]butanamide
CID 123645494
2-[2-[[[3-(1-Chlorocyclopropyl)-3-oxopropanoyl]amino]methyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylic acid
CID 140957812
2-[2-[[(4-Chloro-4-methyl-3-oxopentanoyl)amino]methyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylic acid
CID 140957823
N-[[4-(4-acetyl-1,3-thiazol-2-yl)-1,3-thiazol-2-yl]methyl]-3-(1-methylcyclopropyl)-3-oxopropanamide
CID 157349633
N-[[4-(4-acetyl-1,3-thiazol-2-yl)-1,3-thiazol-2-yl]methyl]-3-(1-chlorocyclopropyl)-3-oxopropanamide;azane
CID 162112210
Azane;2-[2-[[[3-(1-chlorocyclopropyl)-3-oxopropanoyl]amino]methyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylic acid
CID 162251495
N-[[4-[(4R)-4-acetyl-4,5-dihydro-1,3-thiazol-2-yl]-1,3-thiazol-2-yl]methyl]-3-(1-chlorocyclopropyl)-3-oxopropanamide
CID 157050337
N-[[(4S)-4-(4-acetyl-1,3-thiazol-2-yl)-4,5-dihydro-1,3-thiazol-2-yl]methyl]-3-(1-chlorocyclopropyl)-3-oxopropanamide
CID 157050338

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-acetyl-1,3-thiazol-2-yl)-1,3-thiazol-2-yl]methyl]-3-(1-chlorocyclopropyl)-3-oxopropanamide?
The IUPAC name of N-[[4-(4-acetyl-1,3-thiazol-2-yl)-1,3-thiazol-2-yl]methyl]-3-(1-chlorocyclopropyl)-3-oxopropanamide (CID 157050336) is N-[[4-(4-acetyl-1,3-thiazol-2-yl)-1,3-thiazol-2-yl]methyl]-3-(1-chlorocyclopropyl)-3-oxopropanamide.
What is the SMILES notation for N-[[4-(4-acetyl-1,3-thiazol-2-yl)-1,3-thiazol-2-yl]methyl]-3-(1-chlorocyclopropyl)-3-oxopropanamide?
The canonical SMILES for N-[[4-(4-acetyl-1,3-thiazol-2-yl)-1,3-thiazol-2-yl]methyl]-3-(1-chlorocyclopropyl)-3-oxopropanamide is CC(=O)c1csc(-c2csc(CNC(=O)CC(=O)C3(Cl)CC3)n2)n1.
What is the InChIKey of N-[[4-(4-acetyl-1,3-thiazol-2-yl)-1,3-thiazol-2-yl]methyl]-3-(1-chlorocyclopropyl)-3-oxopropanamide?
The InChIKey is ZGHKYPUIMXCMQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O3S2/c1-8(20)9-6-24-14(19-9)10-7-23-13(18-10)5-17-12(22)4-11(21)15(16)2-3-15/h6-7H,2-5H2,1H3,(H,17,22).
What are the key properties of N-[[4-(4-acetyl-1,3-thiazol-2-yl)-1,3-thiazol-2-yl]methyl]-3-(1-chlorocyclopropyl)-3-oxopropanamide?
N-[[4-(4-acetyl-1,3-thiazol-2-yl)-1,3-thiazol-2-yl]methyl]-3-(1-chlorocyclopropyl)-3-oxopropanamide has a molecular weight of 383.88 g/mol, XLogP of 2.82, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-acetyl-1,3-thiazol-2-yl)-1,3-thiazol-2-yl]methyl]-3-(1-chlorocyclopropyl)-3-oxopropanamide is sourced from PubChem (CID 157050336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).