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

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

N-[5-[(1R)-cyclohex-3-ene-1-carbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-2-carboxamide (PubChem CID 95367762) has the molecular formula C18H19N3O2S2 and a molecular weight of 373.50 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]thiophene-2-carboxamide.

Molecular Properties

Compound Name	N-[5-[(1R)-cyclohex-3-ene-1-carbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-2-carboxamide
PubChem CID	95367762
Molecular Formula	C18H19N3O2S2
Molecular Weight	373.50 g/mol
Exact Mass	373.09
IUPAC Name	N-[5-[(1R)-cyclohex-3-ene-1-carbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-2-carboxamide
SMILES	O=C(Nc1nc2c(s1)CN(C(=O)[C@H]1CC=CCC1)CC2)c1cccs1
InChI	InChI=1S/C18H19N3O2S2/c22-16(14-7-4-10-24-14)20-18-19-13-8-9-21(11-15(13)25-18)17(23)12-5-2-1-3-6-12/h1-2,4,7,10,12H,3,5-6,8-9,11H2,(H,19,20,22)/t12-/m0/s1
InChIKey	VNYGZCOUPDOALQ-LBPRGKRZSA-N
XLogP	3.70
TPSA	62.30 Å²
H-Bond Donors	1
H-Bond Acceptors	5
Rotatable Bonds	3
Heavy Atoms	25
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	373.50
LogP ≤ 5	3.70
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Related Compounds

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]thiophene-2-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]thiophene-2-carboxamide (CID 95367762) is N-[5-[(1R)-cyclohex-3-ene-1-carbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-2-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]thiophene-2-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]thiophene-2-carboxamide is O=C(Nc1nc2c(s1)CN(C(=O)[C@H]1CC=CCC1)CC2)c1cccs1.

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]thiophene-2-carboxamide?

The InChIKey is VNYGZCOUPDOALQ-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H19N3O2S2/c22-16(14-7-4-10-24-14)20-18-19-13-8-9-21(11-15(13)25-18)17(23)12-5-2-1-3-6-12/h1-2,4,7,10,12H,3,5-6,8-9,11H2,(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]thiophene-2-carboxamide?

N-[5-[(1R)-cyclohex-3-ene-1-carbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-2-carboxamide has a molecular weight of 373.50 g/mol, XLogP of 3.70, 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]thiophene-2-carboxamide is sourced from PubChem (CID 95367762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).