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

C18H22ClN3OS — CID 90650091

IUPAC1-(4-chlorophenyl)-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]cyclohexane-1-carboxamide
SMILESCc1nnc(CCNC(=O)C2(c3ccc(Cl)cc3)CCCCC2)s1
InChIInChI=1S/C18H22ClN3OS/c1-13-21-22-16(24-13)9-12-20-17(23)18(10-3-2-4-11-18)14-5-7-15(19)8-6-14/h5-8H,2-4,9-12H2,1H3,(H,20,23)
InChIKeyCAGZFCTVHNMIOX-UHFFFAOYSA-N
MW363.91 g/mol
LogP4.06
Rot. Bonds5

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

1-(4-chlorophenyl)-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]cyclohexane-1-carboxamide (PubChem CID 90650091) has the molecular formula C18H22ClN3OS and a molecular weight of 363.91 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]cyclohexane-1-carboxamide
PubChem CID90650091
Molecular FormulaC18H22ClN3OS
Molecular Weight363.91 g/mol
Exact Mass363.12
IUPAC Name1-(4-chlorophenyl)-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]cyclohexane-1-carboxamide
SMILESCc1nnc(CCNC(=O)C2(c3ccc(Cl)cc3)CCCCC2)s1
InChIInChI=1S/C18H22ClN3OS/c1-13-21-22-16(24-13)9-12-20-17(23)18(10-3-2-4-11-18)14-5-7-15(19)8-6-14/h5-8H,2-4,9-12H2,1H3,(H,20,23)
InChIKeyCAGZFCTVHNMIOX-UHFFFAOYSA-N
XLogP4.06
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.91
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]cyclohexane-1-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]cyclohexane-1-carboxamide (CID 90650091) is 1-(4-chlorophenyl)-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]cyclohexane-1-carboxamide is Cc1nnc(CCNC(=O)C2(c3ccc(Cl)cc3)CCCCC2)s1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]cyclohexane-1-carboxamide?
The InChIKey is CAGZFCTVHNMIOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3OS/c1-13-21-22-16(24-13)9-12-20-17(23)18(10-3-2-4-11-18)14-5-7-15(19)8-6-14/h5-8H,2-4,9-12H2,1H3,(H,20,23).
What are the key properties of 1-(4-chlorophenyl)-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]cyclohexane-1-carboxamide?
1-(4-chlorophenyl)-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]cyclohexane-1-carboxamide has a molecular weight of 363.91 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 90650091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).