(3S)-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-3-(1H-imidazol-2-yl)piperidine-1-carboxamide

C15H19N5O2S — CID 95771357

IUPAC(3S)-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-3-(1H-imidazol-2-yl)piperidine-1-carboxamide
SMILESO=C(Nc1nc2c(s1)COCC2)N1CCC[C@H](c2ncc[nH]2)C1
InChIInChI=1S/C15H19N5O2S/c21-15(19-14-18-11-3-7-22-9-12(11)23-14)20-6-1-2-10(8-20)13-16-4-5-17-13/h4-5,10H,1-3,6-9H2,(H,16,17)(H,18,19,21)/t10-/m0/s1
InChIKeyWPIUEVFORAHERO-JTQLQIEISA-N
MW333.42 g/mol
LogP2.35
Rot. Bonds2

About (3S)-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-3-(1H-imidazol-2-yl)piperidine-1-carboxamide

(3S)-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-3-(1H-imidazol-2-yl)piperidine-1-carboxamide (PubChem CID 95771357) has the molecular formula C15H19N5O2S and a molecular weight of 333.42 g/mol. Its IUPAC name is (3S)-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-3-(1H-imidazol-2-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-3-(1H-imidazol-2-yl)piperidine-1-carboxamide
PubChem CID95771357
Molecular FormulaC15H19N5O2S
Molecular Weight333.42 g/mol
Exact Mass333.13
IUPAC Name(3S)-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-3-(1H-imidazol-2-yl)piperidine-1-carboxamide
SMILESO=C(Nc1nc2c(s1)COCC2)N1CCC[C@H](c2ncc[nH]2)C1
InChIInChI=1S/C15H19N5O2S/c21-15(19-14-18-11-3-7-22-9-12(11)23-14)20-6-1-2-10(8-20)13-16-4-5-17-13/h4-5,10H,1-3,6-9H2,(H,16,17)(H,18,19,21)/t10-/m0/s1
InChIKeyWPIUEVFORAHERO-JTQLQIEISA-N
XLogP2.35
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.42
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (3S)-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-3-(1H-imidazol-2-yl)piperidine-1-carboxamide with MolForge

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Related Compounds

N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-3-(1H-imidazol-2-yl)piperidine-1-carboxamide
CID 72132909
1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-3-[[1-(2-methylpropyl)imidazol-2-yl]methyl]urea
CID 71992144
(3R)-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-3-(1H-imidazol-2-yl)piperidine-1-carboxamide
CID 95771356
3-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-1-(3-imidazol-1-ylpropyl)-1-methylurea
CID 99818931
3-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-1-methyl-1-(2-pyrazin-2-ylethyl)urea
CID 127732040
1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-3-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxan-3-yl]urea
CID 137865066
1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)urea
CID 154736810

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-3-(1H-imidazol-2-yl)piperidine-1-carboxamide?
The IUPAC name of (3S)-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-3-(1H-imidazol-2-yl)piperidine-1-carboxamide (CID 95771357) is (3S)-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-3-(1H-imidazol-2-yl)piperidine-1-carboxamide.
What is the SMILES notation for (3S)-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-3-(1H-imidazol-2-yl)piperidine-1-carboxamide?
The canonical SMILES for (3S)-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-3-(1H-imidazol-2-yl)piperidine-1-carboxamide is O=C(Nc1nc2c(s1)COCC2)N1CCC[C@H](c2ncc[nH]2)C1.
What is the InChIKey of (3S)-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-3-(1H-imidazol-2-yl)piperidine-1-carboxamide?
The InChIKey is WPIUEVFORAHERO-JTQLQIEISA-N. The full InChI is InChI=1S/C15H19N5O2S/c21-15(19-14-18-11-3-7-22-9-12(11)23-14)20-6-1-2-10(8-20)13-16-4-5-17-13/h4-5,10H,1-3,6-9H2,(H,16,17)(H,18,19,21)/t10-/m0/s1.
What are the key properties of (3S)-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-3-(1H-imidazol-2-yl)piperidine-1-carboxamide?
(3S)-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-3-(1H-imidazol-2-yl)piperidine-1-carboxamide has a molecular weight of 333.42 g/mol, XLogP of 2.35, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-3-(1H-imidazol-2-yl)piperidine-1-carboxamide is sourced from PubChem (CID 95771357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).