2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-cyclopropyl-N-(thiophen-3-ylmethyl)acetamide

C14H15ClN2OS2 — CID 61439572

IUPAC2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-cyclopropyl-N-(thiophen-3-ylmethyl)acetamide
SMILESO=C(Cc1nc(CCl)cs1)N(Cc1ccsc1)C1CC1
InChIInChI=1S/C14H15ClN2OS2/c15-6-11-9-20-13(16-11)5-14(18)17(12-1-2-12)7-10-3-4-19-8-10/h3-4,8-9,12H,1-2,5-7H2
InChIKeyXSMIAWMFKKDUBD-UHFFFAOYSA-N
MW326.87 g/mol
LogP3.68
Rot. Bonds6

About 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-cyclopropyl-N-(thiophen-3-ylmethyl)acetamide

2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-cyclopropyl-N-(thiophen-3-ylmethyl)acetamide (PubChem CID 61439572) has the molecular formula C14H15ClN2OS2 and a molecular weight of 326.87 g/mol. Its IUPAC name is 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-cyclopropyl-N-(thiophen-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-cyclopropyl-N-(thiophen-3-ylmethyl)acetamide
PubChem CID61439572
Molecular FormulaC14H15ClN2OS2
Molecular Weight326.87 g/mol
Exact Mass326.03
IUPAC Name2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-cyclopropyl-N-(thiophen-3-ylmethyl)acetamide
SMILESO=C(Cc1nc(CCl)cs1)N(Cc1ccsc1)C1CC1
InChIInChI=1S/C14H15ClN2OS2/c15-6-11-9-20-13(16-11)5-14(18)17(12-1-2-12)7-10-3-4-19-8-10/h3-4,8-9,12H,1-2,5-7H2
InChIKeyXSMIAWMFKKDUBD-UHFFFAOYSA-N
XLogP3.68
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.87
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-cyclopropyl-N-(thiophen-3-ylmethyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-2-(2-propan-2-yl-1,3-thiazol-4-yl)-N-(thiophen-3-ylmethyl)acetamide
CID 45887477
N-prop-2-enyl-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 133610630
n-Cyclopropyl-2-(2-(thiophen-3-yl)thiazol-4-yl)acetamide
CID 17392861
N-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(thiophen-3-ylmethyl)acetamide
CID 39968583
N-methyl-N-(thiophen-3-ylmethyl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 39969261
N-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]-N-methyl-1-thiophen-3-ylmethanamine
CID 43528491
2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-methyl-N-(thiophen-3-ylmethyl)ethanamine
CID 43528492
3-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-methyl-N-(thiophen-3-ylmethyl)propan-1-amine
CID 43528493
2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 43528525
N-[2-(1,3-thiazol-4-yl)ethyl]-N-(thiophen-3-ylmethyl)butanamide
CID 46396668
N-methyl-2-(2-methyl-1,3-thiazol-4-yl)-N-(thiophen-3-ylmethyl)acetamide
CID 47009294
N-cyclopropyl-2-[(4-methyl-1,3-thiazol-2-yl)thio]-N-(3-thienylmethyl)acetamide
CID 47394092

Frequently Asked Questions

What is the IUPAC name of 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-cyclopropyl-N-(thiophen-3-ylmethyl)acetamide?
The IUPAC name of 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-cyclopropyl-N-(thiophen-3-ylmethyl)acetamide (CID 61439572) is 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-cyclopropyl-N-(thiophen-3-ylmethyl)acetamide.
What is the SMILES notation for 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-cyclopropyl-N-(thiophen-3-ylmethyl)acetamide?
The canonical SMILES for 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-cyclopropyl-N-(thiophen-3-ylmethyl)acetamide is O=C(Cc1nc(CCl)cs1)N(Cc1ccsc1)C1CC1.
What is the InChIKey of 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-cyclopropyl-N-(thiophen-3-ylmethyl)acetamide?
The InChIKey is XSMIAWMFKKDUBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2OS2/c15-6-11-9-20-13(16-11)5-14(18)17(12-1-2-12)7-10-3-4-19-8-10/h3-4,8-9,12H,1-2,5-7H2.
What are the key properties of 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-cyclopropyl-N-(thiophen-3-ylmethyl)acetamide?
2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-cyclopropyl-N-(thiophen-3-ylmethyl)acetamide has a molecular weight of 326.87 g/mol, XLogP of 3.68, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-cyclopropyl-N-(thiophen-3-ylmethyl)acetamide is sourced from PubChem (CID 61439572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).