(1R,3S,5S,6S,7R)-6,7-dihydroxy-N-[5-(oxan-2-yl)-1,3-thiazol-2-yl]bicyclo[3.3.1]nonane-3-carboxamide

C18H26N2O4S — CID 166310640

IUPAC(1R,3S,5S,6S,7R)-6,7-dihydroxy-N-[5-(oxan-2-yl)-1,3-thiazol-2-yl]bicyclo[3.3.1]nonane-3-carboxamide
SMILESO=C(Nc1ncc(C2CCCCO2)s1)[C@H]1C[C@H]2C[C@@H](C1)[C@H](O)[C@H](O)C2
InChIInChI=1S/C18H26N2O4S/c21-13-7-10-5-11(16(13)22)8-12(6-10)17(23)20-18-19-9-15(25-18)14-3-1-2-4-24-14/h9-14,16,21-22H,1-8H2,(H,19,20,23)/t10-,11+,12+,13-,14?,16+/m1/s1
InChIKeyZHJGNIRNMIZXGB-REUQXBMSSA-N
MW366.48 g/mol
LogP2.48
Rot. Bonds3

About (1R,3S,5S,6S,7R)-6,7-dihydroxy-N-[5-(oxan-2-yl)-1,3-thiazol-2-yl]bicyclo[3.3.1]nonane-3-carboxamide

(1R,3S,5S,6S,7R)-6,7-dihydroxy-N-[5-(oxan-2-yl)-1,3-thiazol-2-yl]bicyclo[3.3.1]nonane-3-carboxamide (PubChem CID 166310640) has the molecular formula C18H26N2O4S and a molecular weight of 366.48 g/mol. Its IUPAC name is (1R,3S,5S,6S,7R)-6,7-dihydroxy-N-[5-(oxan-2-yl)-1,3-thiazol-2-yl]bicyclo[3.3.1]nonane-3-carboxamide.

Molecular Properties

Compound Name(1R,3S,5S,6S,7R)-6,7-dihydroxy-N-[5-(oxan-2-yl)-1,3-thiazol-2-yl]bicyclo[3.3.1]nonane-3-carboxamide
PubChem CID166310640
Molecular FormulaC18H26N2O4S
Molecular Weight366.48 g/mol
Exact Mass366.16
IUPAC Name(1R,3S,5S,6S,7R)-6,7-dihydroxy-N-[5-(oxan-2-yl)-1,3-thiazol-2-yl]bicyclo[3.3.1]nonane-3-carboxamide
SMILESO=C(Nc1ncc(C2CCCCO2)s1)[C@H]1C[C@H]2C[C@@H](C1)[C@H](O)[C@H](O)C2
InChIInChI=1S/C18H26N2O4S/c21-13-7-10-5-11(16(13)22)8-12(6-10)17(23)20-18-19-9-15(25-18)14-3-1-2-4-24-14/h9-14,16,21-22H,1-8H2,(H,19,20,23)/t10-,11+,12+,13-,14?,16+/m1/s1
InChIKeyZHJGNIRNMIZXGB-REUQXBMSSA-N
XLogP2.48
TPSA91.68 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.48
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (1R,3S,5S,6S,7R)-6,7-dihydroxy-N-[5-(oxan-2-yl)-1,3-thiazol-2-yl]bicyclo[3.3.1]nonane-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[2-[[5-(oxan-2-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]benzoic acid
CID 167977589
N-[5-(oxan-2-yl)-1,3-thiazol-2-yl]-4-pyridin-4-yloxybenzamide
CID 167796681
(1R,3S,5S,6S,7R)-N-(4-cyclopropyl-1,3-thiazol-2-yl)-6,7-dihydroxybicyclo[3.3.1]nonane-3-carboxamide
CID 167897147
N-(5-cyclohexyl-1,3-thiazol-2-yl)-3-(methylamino)cyclobutane-1-carboxamide
CID 155186238
3-[5-(oxan-2-yl)-1,3-thiazol-2-yl]propanoic acid
CID 115044288
4-amino-N-(5-cyclohexyl-1,3-thiazol-2-yl)cyclohexane-1-carboxamide
CID 138524929
N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]oxane-2-carboxamide
CID 62213558
N-[5-[(1S)-2-methylcyclohexyl]-1,3-thiazol-2-yl]cyclobutanecarboxamide
CID 155186410
9-amino-N-(5-propyl-1,3-thiazol-2-yl)bicyclo[3.3.1]nonane-3-carboxamide
CID 120994092
N-(5-bromo-1,3-thiazol-2-yl)cyclooctanecarboxamide
CID 65018719
1-(1-cyclobutylethyl)-1-[(2,4-dimethoxyphenyl)methyl]-3-[5-(oxan-2-yl)-1,3-thiazol-2-yl]urea
CID 166343279
2-[[(2S,4R)-2-methyloxane-4-carbonyl]amino]-1,3-thiazole-5-carboxamide
CID 99781135

Frequently Asked Questions

What is the IUPAC name of (1R,3S,5S,6S,7R)-6,7-dihydroxy-N-[5-(oxan-2-yl)-1,3-thiazol-2-yl]bicyclo[3.3.1]nonane-3-carboxamide?
The IUPAC name of (1R,3S,5S,6S,7R)-6,7-dihydroxy-N-[5-(oxan-2-yl)-1,3-thiazol-2-yl]bicyclo[3.3.1]nonane-3-carboxamide (CID 166310640) is (1R,3S,5S,6S,7R)-6,7-dihydroxy-N-[5-(oxan-2-yl)-1,3-thiazol-2-yl]bicyclo[3.3.1]nonane-3-carboxamide.
What is the SMILES notation for (1R,3S,5S,6S,7R)-6,7-dihydroxy-N-[5-(oxan-2-yl)-1,3-thiazol-2-yl]bicyclo[3.3.1]nonane-3-carboxamide?
The canonical SMILES for (1R,3S,5S,6S,7R)-6,7-dihydroxy-N-[5-(oxan-2-yl)-1,3-thiazol-2-yl]bicyclo[3.3.1]nonane-3-carboxamide is O=C(Nc1ncc(C2CCCCO2)s1)[C@H]1C[C@H]2C[C@@H](C1)[C@H](O)[C@H](O)C2.
What is the InChIKey of (1R,3S,5S,6S,7R)-6,7-dihydroxy-N-[5-(oxan-2-yl)-1,3-thiazol-2-yl]bicyclo[3.3.1]nonane-3-carboxamide?
The InChIKey is ZHJGNIRNMIZXGB-REUQXBMSSA-N. The full InChI is InChI=1S/C18H26N2O4S/c21-13-7-10-5-11(16(13)22)8-12(6-10)17(23)20-18-19-9-15(25-18)14-3-1-2-4-24-14/h9-14,16,21-22H,1-8H2,(H,19,20,23)/t10-,11+,12+,13-,14?,16+/m1/s1.
What are the key properties of (1R,3S,5S,6S,7R)-6,7-dihydroxy-N-[5-(oxan-2-yl)-1,3-thiazol-2-yl]bicyclo[3.3.1]nonane-3-carboxamide?
(1R,3S,5S,6S,7R)-6,7-dihydroxy-N-[5-(oxan-2-yl)-1,3-thiazol-2-yl]bicyclo[3.3.1]nonane-3-carboxamide has a molecular weight of 366.48 g/mol, XLogP of 2.48, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3S,5S,6S,7R)-6,7-dihydroxy-N-[5-(oxan-2-yl)-1,3-thiazol-2-yl]bicyclo[3.3.1]nonane-3-carboxamide is sourced from PubChem (CID 166310640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).