3-hydroxy-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)piperidine-1-carboxamide

C14H21N3O2S — CID 91641522

IUPAC3-hydroxy-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)piperidine-1-carboxamide
SMILESO=C(Nc1nc2c(s1)CCCCC2)N1CCCC(O)C1
InChIInChI=1S/C14H21N3O2S/c18-10-5-4-8-17(9-10)14(19)16-13-15-11-6-2-1-3-7-12(11)20-13/h10,18H,1-9H2,(H,15,16,19)
InChIKeyJPETZZSHSDBQDU-UHFFFAOYSA-N
MW295.41 g/mol
LogP2.40
Rot. Bonds1

About 3-hydroxy-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)piperidine-1-carboxamide

3-hydroxy-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)piperidine-1-carboxamide (PubChem CID 91641522) has the molecular formula C14H21N3O2S and a molecular weight of 295.41 g/mol. Its IUPAC name is 3-hydroxy-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name3-hydroxy-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)piperidine-1-carboxamide
PubChem CID91641522
Molecular FormulaC14H21N3O2S
Molecular Weight295.41 g/mol
Exact Mass295.14
IUPAC Name3-hydroxy-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)piperidine-1-carboxamide
SMILESO=C(Nc1nc2c(s1)CCCCC2)N1CCCC(O)C1
InChIInChI=1S/C14H21N3O2S/c18-10-5-4-8-17(9-10)14(19)16-13-15-11-6-2-1-3-7-12(11)20-13/h10,18H,1-9H2,(H,15,16,19)
InChIKeyJPETZZSHSDBQDU-UHFFFAOYSA-N
XLogP2.40
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-hydroxy-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)piperidine-1-carboxamide with MolForge

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Related Compounds

(3S)-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylcarbamoyl)piperidine-3-carboxylic acid
CID 81126323
ethyl 1-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-ylcarbamoyl)piperidine-3-carboxylate
CID 102556073
9-methyl-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide
CID 86778048
3-(cyclopropylmethoxy)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrrolidine-1-carboxamide
CID 121197644
3-pyrazol-1-yl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrrolidine-1-carboxamide
CID 126946397
3-pyrazol-1-yl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)azetidine-1-carboxamide
CID 126900146
N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)-4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 99841536
N-(4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,3]thiazol-2-yl)acetamide
CID 930096
(3R)-3-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 94155243
4-(5-cyclopropyl-1H-pyrazol-3-yl)-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)piperazine-1-carboxamide
CID 127942123
(3S)-3-pyridin-3-yloxy-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrrolidine-1-carboxamide
CID 97012552
N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclohexanecarboxamide
CID 847062

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)piperidine-1-carboxamide?
The IUPAC name of 3-hydroxy-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)piperidine-1-carboxamide (CID 91641522) is 3-hydroxy-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)piperidine-1-carboxamide.
What is the SMILES notation for 3-hydroxy-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)piperidine-1-carboxamide?
The canonical SMILES for 3-hydroxy-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)piperidine-1-carboxamide is O=C(Nc1nc2c(s1)CCCCC2)N1CCCC(O)C1.
What is the InChIKey of 3-hydroxy-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)piperidine-1-carboxamide?
The InChIKey is JPETZZSHSDBQDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2S/c18-10-5-4-8-17(9-10)14(19)16-13-15-11-6-2-1-3-7-12(11)20-13/h10,18H,1-9H2,(H,15,16,19).
What are the key properties of 3-hydroxy-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)piperidine-1-carboxamide?
3-hydroxy-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)piperidine-1-carboxamide has a molecular weight of 295.41 g/mol, XLogP of 2.40, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)piperidine-1-carboxamide is sourced from PubChem (CID 91641522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).