1-(4-chlorophenyl)-N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]cyclobutane-1-carboxamide

C18H21ClN2OS — CID 77085263

IUPAC1-(4-chlorophenyl)-N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]cyclobutane-1-carboxamide
SMILESCc1ncsc1CCN(C)C(=O)C1(c2ccc(Cl)cc2)CCC1
InChIInChI=1S/C18H21ClN2OS/c1-13-16(23-12-20-13)8-11-21(2)17(22)18(9-3-10-18)14-4-6-15(19)7-5-14/h4-7,12H,3,8-11H2,1-2H3
InChIKeyOAZXBSJXWROFRN-UHFFFAOYSA-N
MW348.90 g/mol
LogP4.23
Rot. Bonds5

About 1-(4-chlorophenyl)-N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]cyclobutane-1-carboxamide

1-(4-chlorophenyl)-N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]cyclobutane-1-carboxamide (PubChem CID 77085263) has the molecular formula C18H21ClN2OS and a molecular weight of 348.90 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]cyclobutane-1-carboxamide
PubChem CID77085263
Molecular FormulaC18H21ClN2OS
Molecular Weight348.90 g/mol
Exact Mass348.11
IUPAC Name1-(4-chlorophenyl)-N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]cyclobutane-1-carboxamide
SMILESCc1ncsc1CCN(C)C(=O)C1(c2ccc(Cl)cc2)CCC1
InChIInChI=1S/C18H21ClN2OS/c1-13-16(23-12-20-13)8-11-21(2)17(22)18(9-3-10-18)14-4-6-15(19)7-5-14/h4-7,12H,3,8-11H2,1-2H3
InChIKeyOAZXBSJXWROFRN-UHFFFAOYSA-N
XLogP4.23
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.90
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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trans-(1S,3R)-1-N,3-N,3-N,1,2,2-hexamethyl-1-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]cyclopentane-1,3-dicarboxamide
CID 72873298
1-(4-chlorophenyl)-N-[(4-chlorophenyl)methyl]-N-methylcyclopropane-1-carboxamide
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N-[2-(dimethylamino)ethyl]-1-(4-fluorophenyl)-N-methylcyclobutane-1-carboxamide
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1-(4-chlorophenyl)-N-[(2-methoxyphenyl)methyl]-N-methylcyclobutane-1-carboxamide
CID 9110944
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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]cyclobutane-1-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]cyclobutane-1-carboxamide (CID 77085263) is 1-(4-chlorophenyl)-N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]cyclobutane-1-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]cyclobutane-1-carboxamide is Cc1ncsc1CCN(C)C(=O)C1(c2ccc(Cl)cc2)CCC1.
What is the InChIKey of 1-(4-chlorophenyl)-N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]cyclobutane-1-carboxamide?
The InChIKey is OAZXBSJXWROFRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2OS/c1-13-16(23-12-20-13)8-11-21(2)17(22)18(9-3-10-18)14-4-6-15(19)7-5-14/h4-7,12H,3,8-11H2,1-2H3.
What are the key properties of 1-(4-chlorophenyl)-N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]cyclobutane-1-carboxamide?
1-(4-chlorophenyl)-N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]cyclobutane-1-carboxamide has a molecular weight of 348.90 g/mol, XLogP of 4.23, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 77085263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).