(8S)-N-[(1S)-1-cyclohexyl-2-hydroxyethyl]-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazole-8-carboxamide

C17H26N2O2S — CID 90303665

IUPAC(8S)-N-[(1S)-1-cyclohexyl-2-hydroxyethyl]-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazole-8-carboxamide
SMILESO=C(N[C@H](CO)C1CCCCC1)[C@@H]1CCCCc2ncsc21
InChIInChI=1S/C17H26N2O2S/c20-10-15(12-6-2-1-3-7-12)19-17(21)13-8-4-5-9-14-16(13)22-11-18-14/h11-13,15,20H,1-10H2,(H,19,21)/t13-,15-/m1/s1
InChIKeyIXCRMSPMULYANL-UKRRQHHQSA-N
MW322.47 g/mol
LogP3.01
Rot. Bonds4

About (8S)-N-[(1S)-1-cyclohexyl-2-hydroxyethyl]-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazole-8-carboxamide

(8S)-N-[(1S)-1-cyclohexyl-2-hydroxyethyl]-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazole-8-carboxamide (PubChem CID 90303665) has the molecular formula C17H26N2O2S and a molecular weight of 322.47 g/mol. Its IUPAC name is (8S)-N-[(1S)-1-cyclohexyl-2-hydroxyethyl]-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazole-8-carboxamide.

Molecular Properties

Compound Name(8S)-N-[(1S)-1-cyclohexyl-2-hydroxyethyl]-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazole-8-carboxamide
PubChem CID90303665
Molecular FormulaC17H26N2O2S
Molecular Weight322.47 g/mol
Exact Mass322.17
IUPAC Name(8S)-N-[(1S)-1-cyclohexyl-2-hydroxyethyl]-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazole-8-carboxamide
SMILESO=C(N[C@H](CO)C1CCCCC1)[C@@H]1CCCCc2ncsc21
InChIInChI=1S/C17H26N2O2S/c20-10-15(12-6-2-1-3-7-12)19-17(21)13-8-4-5-9-14-16(13)22-11-18-14/h11-13,15,20H,1-10H2,(H,19,21)/t13-,15-/m1/s1
InChIKeyIXCRMSPMULYANL-UKRRQHHQSA-N
XLogP3.01
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.47
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (8S)-N-[(1S)-1-cyclohexyl-2-hydroxyethyl]-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazole-8-carboxamide?
The IUPAC name of (8S)-N-[(1S)-1-cyclohexyl-2-hydroxyethyl]-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazole-8-carboxamide (CID 90303665) is (8S)-N-[(1S)-1-cyclohexyl-2-hydroxyethyl]-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazole-8-carboxamide.
What is the SMILES notation for (8S)-N-[(1S)-1-cyclohexyl-2-hydroxyethyl]-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazole-8-carboxamide?
The canonical SMILES for (8S)-N-[(1S)-1-cyclohexyl-2-hydroxyethyl]-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazole-8-carboxamide is O=C(N[C@H](CO)C1CCCCC1)[C@@H]1CCCCc2ncsc21.
What is the InChIKey of (8S)-N-[(1S)-1-cyclohexyl-2-hydroxyethyl]-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazole-8-carboxamide?
The InChIKey is IXCRMSPMULYANL-UKRRQHHQSA-N. The full InChI is InChI=1S/C17H26N2O2S/c20-10-15(12-6-2-1-3-7-12)19-17(21)13-8-4-5-9-14-16(13)22-11-18-14/h11-13,15,20H,1-10H2,(H,19,21)/t13-,15-/m1/s1.
What are the key properties of (8S)-N-[(1S)-1-cyclohexyl-2-hydroxyethyl]-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazole-8-carboxamide?
(8S)-N-[(1S)-1-cyclohexyl-2-hydroxyethyl]-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazole-8-carboxamide has a molecular weight of 322.47 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-N-[(1S)-1-cyclohexyl-2-hydroxyethyl]-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazole-8-carboxamide is sourced from PubChem (CID 90303665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).