N-(4-chloro-5-cyclohexyl-1,3-thiazol-2-yl)cyclobutanecarboxamide

C14H19ClN2OS — CID 167109788

IUPACN-(4-chloro-5-cyclohexyl-1,3-thiazol-2-yl)cyclobutanecarboxamide
SMILESO=C(Nc1nc(Cl)c(C2CCCCC2)s1)C1CCC1
InChIInChI=1S/C14H19ClN2OS/c15-12-11(9-5-2-1-3-6-9)19-14(16-12)17-13(18)10-7-4-8-10/h9-10H,1-8H2,(H,16,17,18)
InChIKeyRDKWSYJICUYCBX-UHFFFAOYSA-N
MW298.84 g/mol
LogP4.58
Rot. Bonds3

About N-(4-chloro-5-cyclohexyl-1,3-thiazol-2-yl)cyclobutanecarboxamide

N-(4-chloro-5-cyclohexyl-1,3-thiazol-2-yl)cyclobutanecarboxamide (PubChem CID 167109788) has the molecular formula C14H19ClN2OS and a molecular weight of 298.84 g/mol. Its IUPAC name is N-(4-chloro-5-cyclohexyl-1,3-thiazol-2-yl)cyclobutanecarboxamide.

Molecular Properties

Compound NameN-(4-chloro-5-cyclohexyl-1,3-thiazol-2-yl)cyclobutanecarboxamide
PubChem CID167109788
Molecular FormulaC14H19ClN2OS
Molecular Weight298.84 g/mol
Exact Mass298.09
IUPAC NameN-(4-chloro-5-cyclohexyl-1,3-thiazol-2-yl)cyclobutanecarboxamide
SMILESO=C(Nc1nc(Cl)c(C2CCCCC2)s1)C1CCC1
InChIInChI=1S/C14H19ClN2OS/c15-12-11(9-5-2-1-3-6-9)19-14(16-12)17-13(18)10-7-4-8-10/h9-10H,1-8H2,(H,16,17,18)
InChIKeyRDKWSYJICUYCBX-UHFFFAOYSA-N
XLogP4.58
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.84
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chloro-5-cyclohexyl-1,3-thiazol-2-yl)-3-(cyanoamino)cyclobutane-1-carboxamide
CID 155164808
N-(4-chloro-5-cyclohexyl-1,3-thiazol-2-yl)-3-(cyanoamino)-1-methylcyclobutane-1-carboxamide
CID 155164770
N-[5-[(1S,3S)-3-[5-(cyclopentanecarbonylamino)-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]cyclopentanecarboxamide
CID 90163335
N-(4-chloro-1,3-benzothiazol-2-yl)cyclobutanecarboxamide
CID 42732995
N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclohexanecarboxamide
CID 847062
N-(1,3-benzothiazol-2-yl)cyclopentanecarboxamide
CID 835551
N-(6-chloro-1,3-benzothiazol-2-yl)cyclobutanecarboxamide
CID 836745
N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]cyclopentanecarboxamide
CID 99635970
N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)cyclopentanecarboxamide
CID 43989202
N-(4-chlorophenyl)-2-(cyclohexanecarbonylamino)-4-methyl-1,3-thiazole-5-carboxamide
CID 1468167
N-(4-methoxy-1,3-benzothiazol-2-yl)cyclopentanecarboxamide
CID 43952131
N-(4,5-diphenyl-1,3-thiazol-2-yl)cyclohexanecarboxamide
CID 2427902

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-5-cyclohexyl-1,3-thiazol-2-yl)cyclobutanecarboxamide?
The IUPAC name of N-(4-chloro-5-cyclohexyl-1,3-thiazol-2-yl)cyclobutanecarboxamide (CID 167109788) is N-(4-chloro-5-cyclohexyl-1,3-thiazol-2-yl)cyclobutanecarboxamide.
What is the SMILES notation for N-(4-chloro-5-cyclohexyl-1,3-thiazol-2-yl)cyclobutanecarboxamide?
The canonical SMILES for N-(4-chloro-5-cyclohexyl-1,3-thiazol-2-yl)cyclobutanecarboxamide is O=C(Nc1nc(Cl)c(C2CCCCC2)s1)C1CCC1.
What is the InChIKey of N-(4-chloro-5-cyclohexyl-1,3-thiazol-2-yl)cyclobutanecarboxamide?
The InChIKey is RDKWSYJICUYCBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2OS/c15-12-11(9-5-2-1-3-6-9)19-14(16-12)17-13(18)10-7-4-8-10/h9-10H,1-8H2,(H,16,17,18).
What are the key properties of N-(4-chloro-5-cyclohexyl-1,3-thiazol-2-yl)cyclobutanecarboxamide?
N-(4-chloro-5-cyclohexyl-1,3-thiazol-2-yl)cyclobutanecarboxamide has a molecular weight of 298.84 g/mol, XLogP of 4.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-5-cyclohexyl-1,3-thiazol-2-yl)cyclobutanecarboxamide is sourced from PubChem (CID 167109788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).