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

C19H23ClN2OS — CID 86951201

IUPAC1-(3-chlorophenyl)-N-[1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]cyclobutane-1-carboxamide
SMILESCC(C)c1nc(C(C)NC(=O)C2(c3cccc(Cl)c3)CCC2)cs1
InChIInChI=1S/C19H23ClN2OS/c1-12(2)17-22-16(11-24-17)13(3)21-18(23)19(8-5-9-19)14-6-4-7-15(20)10-14/h4,6-7,10-13H,5,8-9H2,1-3H3,(H,21,23)
InChIKeyPZNXSWOURCTAKV-UHFFFAOYSA-N
MW362.93 g/mol
LogP5.22
Rot. Bonds5

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

1-(3-chlorophenyl)-N-[1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]cyclobutane-1-carboxamide (PubChem CID 86951201) has the molecular formula C19H23ClN2OS and a molecular weight of 362.93 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-[1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-[1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]cyclobutane-1-carboxamide
PubChem CID86951201
Molecular FormulaC19H23ClN2OS
Molecular Weight362.93 g/mol
Exact Mass362.12
IUPAC Name1-(3-chlorophenyl)-N-[1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]cyclobutane-1-carboxamide
SMILESCC(C)c1nc(C(C)NC(=O)C2(c3cccc(Cl)c3)CCC2)cs1
InChIInChI=1S/C19H23ClN2OS/c1-12(2)17-22-16(11-24-17)13(3)21-18(23)19(8-5-9-19)14-6-4-7-15(20)10-14/h4,6-7,10-13H,5,8-9H2,1-3H3,(H,21,23)
InChIKeyPZNXSWOURCTAKV-UHFFFAOYSA-N
XLogP5.22
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.93
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 95049720
N-[1-(tert-butylamino)-1-oxopropan-2-yl]-1-(3-chlorophenyl)cyclopentane-1-carboxamide
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1-(3-chlorophenyl)-N-(1-pyrazol-1-ylpropan-2-yl)cyclopropane-1-carboxamide
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1-(3-chlorophenyl)-N-pyridin-4-ylcyclohexane-1-carboxamide
CID 60542537
1-(3-chlorophenyl)-N-(1-hydroxybutan-2-yl)cyclopropane-1-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-[1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]cyclobutane-1-carboxamide?
The IUPAC name of 1-(3-chlorophenyl)-N-[1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]cyclobutane-1-carboxamide (CID 86951201) is 1-(3-chlorophenyl)-N-[1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 1-(3-chlorophenyl)-N-[1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]cyclobutane-1-carboxamide?
The canonical SMILES for 1-(3-chlorophenyl)-N-[1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]cyclobutane-1-carboxamide is CC(C)c1nc(C(C)NC(=O)C2(c3cccc(Cl)c3)CCC2)cs1.
What is the InChIKey of 1-(3-chlorophenyl)-N-[1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]cyclobutane-1-carboxamide?
The InChIKey is PZNXSWOURCTAKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2OS/c1-12(2)17-22-16(11-24-17)13(3)21-18(23)19(8-5-9-19)14-6-4-7-15(20)10-14/h4,6-7,10-13H,5,8-9H2,1-3H3,(H,21,23).
What are the key properties of 1-(3-chlorophenyl)-N-[1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]cyclobutane-1-carboxamide?
1-(3-chlorophenyl)-N-[1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]cyclobutane-1-carboxamide has a molecular weight of 362.93 g/mol, XLogP of 5.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-[1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 86951201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).