2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]acetamide

C18H18ClN5O2S — CID 56560605

IUPAC2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]acetamide
SMILESO=C(Cc1csc(COc2ccc(Cl)cc2)n1)NCc1nncn1C1CC1
InChIInChI=1S/C18H18ClN5O2S/c19-12-1-5-15(6-2-12)26-9-18-22-13(10-27-18)7-17(25)20-8-16-23-21-11-24(16)14-3-4-14/h1-2,5-6,10-11,14H,3-4,7-9H2,(H,20,25)
InChIKeyWGHCPKOCNMWXBV-UHFFFAOYSA-N
MW403.90 g/mol
LogP3.16
Rot. Bonds8

About 2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]acetamide

2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]acetamide (PubChem CID 56560605) has the molecular formula C18H18ClN5O2S and a molecular weight of 403.90 g/mol. Its IUPAC name is 2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]acetamide
PubChem CID56560605
Molecular FormulaC18H18ClN5O2S
Molecular Weight403.90 g/mol
Exact Mass403.09
IUPAC Name2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]acetamide
SMILESO=C(Cc1csc(COc2ccc(Cl)cc2)n1)NCc1nncn1C1CC1
InChIInChI=1S/C18H18ClN5O2S/c19-12-1-5-15(6-2-12)26-9-18-22-13(10-27-18)7-17(25)20-8-16-23-21-11-24(16)14-3-4-14/h1-2,5-6,10-11,14H,3-4,7-9H2,(H,20,25)
InChIKeyWGHCPKOCNMWXBV-UHFFFAOYSA-N
XLogP3.16
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.90
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-[(4-cyclopropyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]acetamide
CID 56578149
2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-[(5-chlorothiophen-2-yl)methyl]acetamide
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2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-[(2-fluorophenyl)methyl]acetamide
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2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-[(3-chlorophenyl)methyl]acetamide
CID 24524667
2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide
CID 34141754
N-(2-amino-1-cyclopropylethyl)-2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]acetamide
CID 119617460
2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]acetamide
CID 55577890
N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]acetamide
CID 55978359
2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-piperidin-3-ylacetamide;dihydrochloride
CID 119428889
N'-[2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]acetyl]pyridine-2-carbohydrazide
CID 35076867
2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-(3-cyclohexyloxypropyl)acetamide
CID 55463191
2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)acetamide
CID 56579626

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]acetamide?
The IUPAC name of 2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]acetamide (CID 56560605) is 2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]acetamide.
What is the SMILES notation for 2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]acetamide?
The canonical SMILES for 2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]acetamide is O=C(Cc1csc(COc2ccc(Cl)cc2)n1)NCc1nncn1C1CC1.
What is the InChIKey of 2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]acetamide?
The InChIKey is WGHCPKOCNMWXBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN5O2S/c19-12-1-5-15(6-2-12)26-9-18-22-13(10-27-18)7-17(25)20-8-16-23-21-11-24(16)14-3-4-14/h1-2,5-6,10-11,14H,3-4,7-9H2,(H,20,25).
What are the key properties of 2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]acetamide?
2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]acetamide has a molecular weight of 403.90 g/mol, XLogP of 3.16, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]acetamide is sourced from PubChem (CID 56560605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).