N-[5-[(1R)-cyclohex-3-ene-1-carbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide

C18H19N3O3S — CID 97104375

IUPACN-[5-[(1R)-cyclohex-3-ene-1-carbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide
SMILESO=C(Nc1nc2c(s1)CN(C(=O)[C@H]1CC=CCC1)CC2)c1ccoc1
InChIInChI=1S/C18H19N3O3S/c22-16(13-7-9-24-11-13)20-18-19-14-6-8-21(10-15(14)25-18)17(23)12-4-2-1-3-5-12/h1-2,7,9,11-12H,3-6,8,10H2,(H,19,20,22)/t12-/m0/s1
InChIKeyLZFSJGOJYOLZKT-LBPRGKRZSA-N
MW357.44 g/mol
LogP3.23
Rot. Bonds3

About N-[5-[(1R)-cyclohex-3-ene-1-carbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide

N-[5-[(1R)-cyclohex-3-ene-1-carbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide (PubChem CID 97104375) has the molecular formula C18H19N3O3S and a molecular weight of 357.44 g/mol. Its IUPAC name is N-[5-[(1R)-cyclohex-3-ene-1-carbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[5-[(1R)-cyclohex-3-ene-1-carbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide
PubChem CID97104375
Molecular FormulaC18H19N3O3S
Molecular Weight357.44 g/mol
Exact Mass357.11
IUPAC NameN-[5-[(1R)-cyclohex-3-ene-1-carbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide
SMILESO=C(Nc1nc2c(s1)CN(C(=O)[C@H]1CC=CCC1)CC2)c1ccoc1
InChIInChI=1S/C18H19N3O3S/c22-16(13-7-9-24-11-13)20-18-19-14-6-8-21(10-15(14)25-18)17(23)12-4-2-1-3-5-12/h1-2,7,9,11-12H,3-6,8,10H2,(H,19,20,22)/t12-/m0/s1
InChIKeyLZFSJGOJYOLZKT-LBPRGKRZSA-N
XLogP3.23
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[5-(cyclobutanecarbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide
CID 90531672
N-[5-(cyclohex-3-ene-1-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-3-carboxamide
CID 71788349
N-[5-[(1R)-cyclohex-3-ene-1-carbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-2-carboxamide
CID 95367762
ethyl N-[5-(cyclohex-3-ene-1-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate
CID 71788109
N-[5-(cyclopentanecarbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-2-carboxamide
CID 90526442
2-(furan-3-carbonylamino)-N-thiophen-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
CID 71788322
N-[5-(2-phenoxypropanoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide
CID 71788292
N-[5-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide
CID 90531498
N-[5-[(E)-3-(furan-2-yl)prop-2-enoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide
CID 90531496
N-[5-[4-(dimethylsulfamoyl)benzoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide
CID 90531633
N-[5-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide
CID 90531699
N-[5-[2-(1-methylindol-3-yl)acetyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide
CID 90531511

Frequently Asked Questions

What is the IUPAC name of N-[5-[(1R)-cyclohex-3-ene-1-carbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide?
The IUPAC name of N-[5-[(1R)-cyclohex-3-ene-1-carbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide (CID 97104375) is N-[5-[(1R)-cyclohex-3-ene-1-carbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide.
What is the SMILES notation for N-[5-[(1R)-cyclohex-3-ene-1-carbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide?
The canonical SMILES for N-[5-[(1R)-cyclohex-3-ene-1-carbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide is O=C(Nc1nc2c(s1)CN(C(=O)[C@H]1CC=CCC1)CC2)c1ccoc1.
What is the InChIKey of N-[5-[(1R)-cyclohex-3-ene-1-carbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide?
The InChIKey is LZFSJGOJYOLZKT-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H19N3O3S/c22-16(13-7-9-24-11-13)20-18-19-14-6-8-21(10-15(14)25-18)17(23)12-4-2-1-3-5-12/h1-2,7,9,11-12H,3-6,8,10H2,(H,19,20,22)/t12-/m0/s1.
What are the key properties of N-[5-[(1R)-cyclohex-3-ene-1-carbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide?
N-[5-[(1R)-cyclohex-3-ene-1-carbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide has a molecular weight of 357.44 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(1R)-cyclohex-3-ene-1-carbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide is sourced from PubChem (CID 97104375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).