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

C19H24N4OS2 — CID 100908268

IUPAC4-pyridin-2-ylsulfanyl-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)piperidine-1-carboxamide
SMILESO=C(Nc1nc2c(s1)CCCCC2)N1CCC(Sc2ccccn2)CC1
InChIInChI=1S/C19H24N4OS2/c24-19(22-18-21-15-6-2-1-3-7-16(15)26-18)23-12-9-14(10-13-23)25-17-8-4-5-11-20-17/h4-5,8,11,14H,1-3,6-7,9-10,12-13H2,(H,21,22,24)
InChIKeyDBDQPWVSACPXJI-UHFFFAOYSA-N
MW388.56 g/mol
LogP4.60
Rot. Bonds3

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

4-pyridin-2-ylsulfanyl-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)piperidine-1-carboxamide (PubChem CID 100908268) has the molecular formula C19H24N4OS2 and a molecular weight of 388.56 g/mol. Its IUPAC name is 4-pyridin-2-ylsulfanyl-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-pyridin-2-ylsulfanyl-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)piperidine-1-carboxamide
PubChem CID100908268
Molecular FormulaC19H24N4OS2
Molecular Weight388.56 g/mol
Exact Mass388.14
IUPAC Name4-pyridin-2-ylsulfanyl-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)piperidine-1-carboxamide
SMILESO=C(Nc1nc2c(s1)CCCCC2)N1CCC(Sc2ccccn2)CC1
InChIInChI=1S/C19H24N4OS2/c24-19(22-18-21-15-6-2-1-3-7-16(15)26-18)23-12-9-14(10-13-23)25-17-8-4-5-11-20-17/h4-5,8,11,14H,1-3,6-7,9-10,12-13H2,(H,21,22,24)
InChIKeyDBDQPWVSACPXJI-UHFFFAOYSA-N
XLogP4.60
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.56
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-pyrazol-1-yl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrrolidine-1-carboxamide
CID 126946397
3-hydroxy-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)piperidine-1-carboxamide
CID 91641522
N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyridine-2-carboxamide
CID 2439718
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
(3S)-3-pyridin-3-yloxy-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrrolidine-1-carboxamide
CID 97012552
N-[(2S)-1-oxo-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)propan-2-yl]-4-pyridin-2-ylpiperazine-1-carboxamide
CID 52901177
(3S)-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylcarbamoyl)piperidine-3-carboxylic acid
CID 81126323
3-pyrazol-1-yl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)azetidine-1-carboxamide
CID 126900146
3-(cyclopropylmethoxy)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrrolidine-1-carboxamide
CID 121197644
2-(2-methylphenyl)-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)pyrrolidine-1-carboxamide
CID 112838644
4-[(3-tert-butyl-6-oxopyridazin-1-yl)methyl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidine-1-carboxamide
CID 126862292
4-[methyl-(6-methylpyrimidin-4-yl)amino]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidine-1-carboxamide
CID 126889278

Frequently Asked Questions

What is the IUPAC name of 4-pyridin-2-ylsulfanyl-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)piperidine-1-carboxamide?
The IUPAC name of 4-pyridin-2-ylsulfanyl-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)piperidine-1-carboxamide (CID 100908268) is 4-pyridin-2-ylsulfanyl-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)piperidine-1-carboxamide.
What is the SMILES notation for 4-pyridin-2-ylsulfanyl-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)piperidine-1-carboxamide?
The canonical SMILES for 4-pyridin-2-ylsulfanyl-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)piperidine-1-carboxamide is O=C(Nc1nc2c(s1)CCCCC2)N1CCC(Sc2ccccn2)CC1.
What is the InChIKey of 4-pyridin-2-ylsulfanyl-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)piperidine-1-carboxamide?
The InChIKey is DBDQPWVSACPXJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4OS2/c24-19(22-18-21-15-6-2-1-3-7-16(15)26-18)23-12-9-14(10-13-23)25-17-8-4-5-11-20-17/h4-5,8,11,14H,1-3,6-7,9-10,12-13H2,(H,21,22,24).
What are the key properties of 4-pyridin-2-ylsulfanyl-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)piperidine-1-carboxamide?
4-pyridin-2-ylsulfanyl-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)piperidine-1-carboxamide has a molecular weight of 388.56 g/mol, XLogP of 4.60, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyridin-2-ylsulfanyl-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)piperidine-1-carboxamide is sourced from PubChem (CID 100908268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).