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

C20H19ClN2OS2 — CID 55670377

IUPAC2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]-N-cyclopropyl-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(Cc1csc(Cc2cccc(Cl)c2)n1)N(Cc1cccs1)C1CC1
InChIInChI=1S/C20H19ClN2OS2/c21-15-4-1-3-14(9-15)10-19-22-16(13-26-19)11-20(24)23(17-6-7-17)12-18-5-2-8-25-18/h1-5,8-9,13,17H,6-7,10-12H2
InChIKeyXAXZHWDXBAMZBT-UHFFFAOYSA-N
MW402.97 g/mol
LogP5.18
Rot. Bonds7

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

2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]-N-cyclopropyl-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 55670377) has the molecular formula C20H19ClN2OS2 and a molecular weight of 402.97 g/mol. Its IUPAC name is 2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]-N-cyclopropyl-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]-N-cyclopropyl-N-(thiophen-2-ylmethyl)acetamide
PubChem CID55670377
Molecular FormulaC20H19ClN2OS2
Molecular Weight402.97 g/mol
Exact Mass402.06
IUPAC Name2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]-N-cyclopropyl-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(Cc1csc(Cc2cccc(Cl)c2)n1)N(Cc1cccs1)C1CC1
InChIInChI=1S/C20H19ClN2OS2/c21-15-4-1-3-14(9-15)10-19-22-16(13-26-19)11-20(24)23(17-6-7-17)12-18-5-2-8-25-18/h1-5,8-9,13,17H,6-7,10-12H2
InChIKeyXAXZHWDXBAMZBT-UHFFFAOYSA-N
XLogP5.18
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.97
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]-N-cycloheptyl-N-methylacetamide
CID 55668565
N-cyclopropyl-2-(2-methyl-1,3-thiazol-4-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 134004488
N-[4-[2-[cyclopropyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 39155108
2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylacetamide
CID 55857637
methyl 2-[[2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]acetyl]-propan-2-ylamino]acetate
CID 112831071
N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]acetamide
CID 43069309
N-(4-chloro-2-methylphenyl)-2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]acetamide
CID 46427859
N-[2-(benzylamino)-2-oxoethyl]-2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]acetamide
CID 39822412
2-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-yl]-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide
CID 86847886
N-[(3-chlorophenyl)methyl]-N-ethyl-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 55594311
N-(2-tert-butyl-5-methylpyrazol-3-yl)-2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]acetamide
CID 55796237
2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]-1-(4-pyridin-3-ylsulfonylpiperazin-1-yl)ethanone
CID 55669782

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]-N-cyclopropyl-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]-N-cyclopropyl-N-(thiophen-2-ylmethyl)acetamide (CID 55670377) is 2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]-N-cyclopropyl-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]-N-cyclopropyl-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]-N-cyclopropyl-N-(thiophen-2-ylmethyl)acetamide is O=C(Cc1csc(Cc2cccc(Cl)c2)n1)N(Cc1cccs1)C1CC1.
What is the InChIKey of 2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]-N-cyclopropyl-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is XAXZHWDXBAMZBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2OS2/c21-15-4-1-3-14(9-15)10-19-22-16(13-26-19)11-20(24)23(17-6-7-17)12-18-5-2-8-25-18/h1-5,8-9,13,17H,6-7,10-12H2.
What are the key properties of 2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]-N-cyclopropyl-N-(thiophen-2-ylmethyl)acetamide?
2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]-N-cyclopropyl-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 402.97 g/mol, XLogP of 5.18, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]-N-cyclopropyl-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 55670377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).