N-[(1R,2R,3R)-2,3-dihydroxycycloheptyl]-1,3-thiazole-5-carboxamide

C11H16N2O3S — CID 110125860

IUPACN-[(1R,2R,3R)-2,3-dihydroxycycloheptyl]-1,3-thiazole-5-carboxamide
SMILESO=C(N[C@@H]1CCCC[C@@H](O)[C@@H]1O)c1cncs1
InChIInChI=1S/C11H16N2O3S/c14-8-4-2-1-3-7(10(8)15)13-11(16)9-5-12-6-17-9/h5-8,10,14-15H,1-4H2,(H,13,16)/t7-,8-,10-/m1/s1
InChIKeyZOMGQTCFQGXPLJ-NQMVMOMDSA-N
MW256.33 g/mol
LogP0.54
Rot. Bonds2

About N-[(1R,2R,3R)-2,3-dihydroxycycloheptyl]-1,3-thiazole-5-carboxamide

N-[(1R,2R,3R)-2,3-dihydroxycycloheptyl]-1,3-thiazole-5-carboxamide (PubChem CID 110125860) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is N-[(1R,2R,3R)-2,3-dihydroxycycloheptyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R,3R)-2,3-dihydroxycycloheptyl]-1,3-thiazole-5-carboxamide
PubChem CID110125860
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC NameN-[(1R,2R,3R)-2,3-dihydroxycycloheptyl]-1,3-thiazole-5-carboxamide
SMILESO=C(N[C@@H]1CCCC[C@@H](O)[C@@H]1O)c1cncs1
InChIInChI=1S/C11H16N2O3S/c14-8-4-2-1-3-7(10(8)15)13-11(16)9-5-12-6-17-9/h5-8,10,14-15H,1-4H2,(H,13,16)/t7-,8-,10-/m1/s1
InChIKeyZOMGQTCFQGXPLJ-NQMVMOMDSA-N
XLogP0.54
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1R,2R,3R)-2-hydroxy-3-(2-methylimidazol-1-yl)cyclopentyl]-1,3-thiazole-5-carboxamide
CID 110127271
N-[(1R,2R,3R)-2,3-dihydroxycycloheptyl]pyridine-4-carboxamide
CID 110125810
N-(2-hydroxycyclohexyl)thiadiazole-5-carboxamide
CID 62358685
N'-(1,3-thiazole-5-carbonyl)-1,3-thiazole-5-carbohydrazide
CID 139226744
N-(azetidin-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 141197607
N-propan-2-yl-1,3-thiazole-5-carboxamide
CID 23525711
N-[1-(cyanomethyl)piperidin-4-yl]-1,3-thiazole-5-carboxamide
CID 113233064
2-[1-(1,3-thiazol-5-yl)ethylamino]cyclohexan-1-ol
CID 115720070
2-(1,3-thiazol-5-ylmethylamino)cyclohexan-1-ol
CID 62758912
N-[(1S,2S)-2-hydroxycyclohexyl]-2-propyl-1,3-thiazole-5-carboxamide
CID 126793620
(1,3-thiazole-5-carbonylamino)carbamic acid
CID 123379520
N-(2-aminoethyl)-1,3-thiazole-5-carboxamide
CID 83617604

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R,3R)-2,3-dihydroxycycloheptyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[(1R,2R,3R)-2,3-dihydroxycycloheptyl]-1,3-thiazole-5-carboxamide (CID 110125860) is N-[(1R,2R,3R)-2,3-dihydroxycycloheptyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[(1R,2R,3R)-2,3-dihydroxycycloheptyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[(1R,2R,3R)-2,3-dihydroxycycloheptyl]-1,3-thiazole-5-carboxamide is O=C(N[C@@H]1CCCC[C@@H](O)[C@@H]1O)c1cncs1.
What is the InChIKey of N-[(1R,2R,3R)-2,3-dihydroxycycloheptyl]-1,3-thiazole-5-carboxamide?
The InChIKey is ZOMGQTCFQGXPLJ-NQMVMOMDSA-N. The full InChI is InChI=1S/C11H16N2O3S/c14-8-4-2-1-3-7(10(8)15)13-11(16)9-5-12-6-17-9/h5-8,10,14-15H,1-4H2,(H,13,16)/t7-,8-,10-/m1/s1.
What are the key properties of N-[(1R,2R,3R)-2,3-dihydroxycycloheptyl]-1,3-thiazole-5-carboxamide?
N-[(1R,2R,3R)-2,3-dihydroxycycloheptyl]-1,3-thiazole-5-carboxamide has a molecular weight of 256.33 g/mol, XLogP of 0.54, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R,3R)-2,3-dihydroxycycloheptyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 110125860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).