(1R,3S,5S,6S,7R)-N-(4-cyclopropyl-1,3-thiazol-2-yl)-6,7-dihydroxybicyclo[3.3.1]nonane-3-carboxamide

C16H22N2O3S — CID 167897147

IUPAC(1R,3S,5S,6S,7R)-N-(4-cyclopropyl-1,3-thiazol-2-yl)-6,7-dihydroxybicyclo[3.3.1]nonane-3-carboxamide
SMILESO=C(Nc1nc(C2CC2)cs1)[C@H]1C[C@H]2C[C@@H](C1)[C@H](O)[C@H](O)C2
InChIInChI=1S/C16H22N2O3S/c19-13-5-8-3-10(14(13)20)6-11(4-8)15(21)18-16-17-12(7-22-16)9-1-2-9/h7-11,13-14,19-20H,1-6H2,(H,17,18,21)/t8-,10+,11+,13-,14+/m1/s1
InChIKeyMHXKEHORMVMGBX-AFROZRCLSA-N
MW322.43 g/mol
LogP2.12
Rot. Bonds3

About (1R,3S,5S,6S,7R)-N-(4-cyclopropyl-1,3-thiazol-2-yl)-6,7-dihydroxybicyclo[3.3.1]nonane-3-carboxamide

(1R,3S,5S,6S,7R)-N-(4-cyclopropyl-1,3-thiazol-2-yl)-6,7-dihydroxybicyclo[3.3.1]nonane-3-carboxamide (PubChem CID 167897147) has the molecular formula C16H22N2O3S and a molecular weight of 322.43 g/mol. Its IUPAC name is (1R,3S,5S,6S,7R)-N-(4-cyclopropyl-1,3-thiazol-2-yl)-6,7-dihydroxybicyclo[3.3.1]nonane-3-carboxamide.

Molecular Properties

Compound Name(1R,3S,5S,6S,7R)-N-(4-cyclopropyl-1,3-thiazol-2-yl)-6,7-dihydroxybicyclo[3.3.1]nonane-3-carboxamide
PubChem CID167897147
Molecular FormulaC16H22N2O3S
Molecular Weight322.43 g/mol
Exact Mass322.14
IUPAC Name(1R,3S,5S,6S,7R)-N-(4-cyclopropyl-1,3-thiazol-2-yl)-6,7-dihydroxybicyclo[3.3.1]nonane-3-carboxamide
SMILESO=C(Nc1nc(C2CC2)cs1)[C@H]1C[C@H]2C[C@@H](C1)[C@H](O)[C@H](O)C2
InChIInChI=1S/C16H22N2O3S/c19-13-5-8-3-10(14(13)20)6-11(4-8)15(21)18-16-17-12(7-22-16)9-1-2-9/h7-11,13-14,19-20H,1-6H2,(H,17,18,21)/t8-,10+,11+,13-,14+/m1/s1
InChIKeyMHXKEHORMVMGBX-AFROZRCLSA-N
XLogP2.12
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (1R,3S,5S,6S,7R)-N-(4-cyclopropyl-1,3-thiazol-2-yl)-6,7-dihydroxybicyclo[3.3.1]nonane-3-carboxamide with MolForge

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Related Compounds

(3S)-N-(4-cyclopropyl-1,3-thiazol-2-yl)oxolane-3-carboxamide
CID 94211482
(1S)-2,2-dichloro-N-(4-cyclopropyl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide
CID 33302453
1-N,4-N-bis(4-cyclopropyl-1,3-thiazol-2-yl)benzene-1,4-dicarboxamide
CID 32869371
N-(4-cyclopropyl-1,3-thiazol-2-yl)-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
CID 32868205
4-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-4-oxobut-2-enoic acid
CID 61479564
(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
(2R)-N-(4-cyclopropyl-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 103795480
2-amino-N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-methylpropanamide;hydrochloride
CID 119292978
N-(4-cyclopropyl-1,3-thiazol-2-yl)-1,3-thiazolidine-4-carboxamide
CID 61482512
N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-methylpiperidine-2-carboxamide
CID 114423810
1-[(4-cyclopropyl-1,3-thiazol-2-yl)carbamoyl]piperidine-3-carboxylic acid
CID 61480503
N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-oxoacetamide
CID 136542782

Frequently Asked Questions

What is the IUPAC name of (1R,3S,5S,6S,7R)-N-(4-cyclopropyl-1,3-thiazol-2-yl)-6,7-dihydroxybicyclo[3.3.1]nonane-3-carboxamide?
The IUPAC name of (1R,3S,5S,6S,7R)-N-(4-cyclopropyl-1,3-thiazol-2-yl)-6,7-dihydroxybicyclo[3.3.1]nonane-3-carboxamide (CID 167897147) is (1R,3S,5S,6S,7R)-N-(4-cyclopropyl-1,3-thiazol-2-yl)-6,7-dihydroxybicyclo[3.3.1]nonane-3-carboxamide.
What is the SMILES notation for (1R,3S,5S,6S,7R)-N-(4-cyclopropyl-1,3-thiazol-2-yl)-6,7-dihydroxybicyclo[3.3.1]nonane-3-carboxamide?
The canonical SMILES for (1R,3S,5S,6S,7R)-N-(4-cyclopropyl-1,3-thiazol-2-yl)-6,7-dihydroxybicyclo[3.3.1]nonane-3-carboxamide is O=C(Nc1nc(C2CC2)cs1)[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)-N-(4-cyclopropyl-1,3-thiazol-2-yl)-6,7-dihydroxybicyclo[3.3.1]nonane-3-carboxamide?
The InChIKey is MHXKEHORMVMGBX-AFROZRCLSA-N. The full InChI is InChI=1S/C16H22N2O3S/c19-13-5-8-3-10(14(13)20)6-11(4-8)15(21)18-16-17-12(7-22-16)9-1-2-9/h7-11,13-14,19-20H,1-6H2,(H,17,18,21)/t8-,10+,11+,13-,14+/m1/s1.
What are the key properties of (1R,3S,5S,6S,7R)-N-(4-cyclopropyl-1,3-thiazol-2-yl)-6,7-dihydroxybicyclo[3.3.1]nonane-3-carboxamide?
(1R,3S,5S,6S,7R)-N-(4-cyclopropyl-1,3-thiazol-2-yl)-6,7-dihydroxybicyclo[3.3.1]nonane-3-carboxamide has a molecular weight of 322.43 g/mol, XLogP of 2.12, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3S,5S,6S,7R)-N-(4-cyclopropyl-1,3-thiazol-2-yl)-6,7-dihydroxybicyclo[3.3.1]nonane-3-carboxamide is sourced from PubChem (CID 167897147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).