2-(2-chloroanilino)-5-cyclohexyl-1,3-thiazol-4-ol

C15H17ClN2OS — CID 91173967

IUPAC2-(2-chloroanilino)-5-cyclohexyl-1,3-thiazol-4-ol
SMILESOc1nc(Nc2ccccc2Cl)sc1C1CCCCC1
InChIInChI=1S/C15H17ClN2OS/c16-11-8-4-5-9-12(11)17-15-18-14(19)13(20-15)10-6-2-1-3-7-10/h4-5,8-10,19H,1-3,6-7H2,(H,17,18)
InChIKeySIHMARIGLPGOTP-UHFFFAOYSA-N
MW308.83 g/mol
LogP5.29
Rot. Bonds3

About 2-(2-chloroanilino)-5-cyclohexyl-1,3-thiazol-4-ol

2-(2-chloroanilino)-5-cyclohexyl-1,3-thiazol-4-ol (PubChem CID 91173967) has the molecular formula C15H17ClN2OS and a molecular weight of 308.83 g/mol. Its IUPAC name is 2-(2-chloroanilino)-5-cyclohexyl-1,3-thiazol-4-ol.

Molecular Properties

Compound Name2-(2-chloroanilino)-5-cyclohexyl-1,3-thiazol-4-ol
PubChem CID91173967
Molecular FormulaC15H17ClN2OS
Molecular Weight308.83 g/mol
Exact Mass308.08
IUPAC Name2-(2-chloroanilino)-5-cyclohexyl-1,3-thiazol-4-ol
SMILESOc1nc(Nc2ccccc2Cl)sc1C1CCCCC1
InChIInChI=1S/C15H17ClN2OS/c16-11-8-4-5-9-12(11)17-15-18-14(19)13(20-15)10-6-2-1-3-7-10/h4-5,8-10,19H,1-3,6-7H2,(H,17,18)
InChIKeySIHMARIGLPGOTP-UHFFFAOYSA-N
XLogP5.29
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.83
LogP ≤ 55.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroanilino)-5-cyclohexyl-1,3-thiazol-4-ol?
The IUPAC name of 2-(2-chloroanilino)-5-cyclohexyl-1,3-thiazol-4-ol (CID 91173967) is 2-(2-chloroanilino)-5-cyclohexyl-1,3-thiazol-4-ol.
What is the SMILES notation for 2-(2-chloroanilino)-5-cyclohexyl-1,3-thiazol-4-ol?
The canonical SMILES for 2-(2-chloroanilino)-5-cyclohexyl-1,3-thiazol-4-ol is Oc1nc(Nc2ccccc2Cl)sc1C1CCCCC1.
What is the InChIKey of 2-(2-chloroanilino)-5-cyclohexyl-1,3-thiazol-4-ol?
The InChIKey is SIHMARIGLPGOTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2OS/c16-11-8-4-5-9-12(11)17-15-18-14(19)13(20-15)10-6-2-1-3-7-10/h4-5,8-10,19H,1-3,6-7H2,(H,17,18).
What are the key properties of 2-(2-chloroanilino)-5-cyclohexyl-1,3-thiazol-4-ol?
2-(2-chloroanilino)-5-cyclohexyl-1,3-thiazol-4-ol has a molecular weight of 308.83 g/mol, XLogP of 5.29, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroanilino)-5-cyclohexyl-1,3-thiazol-4-ol is sourced from PubChem (CID 91173967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).