N-[5-(naphthalene-1-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]oxolane-2-carboxamide

C22H21N3O3S — CID 90526029

IUPACN-[5-(naphthalene-1-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]oxolane-2-carboxamide
SMILESO=C(Nc1nc2c(s1)CN(C(=O)c1cccc3ccccc13)CC2)C1CCCO1
InChIInChI=1S/C22H21N3O3S/c26-20(18-9-4-12-28-18)24-22-23-17-10-11-25(13-19(17)29-22)21(27)16-8-3-6-14-5-1-2-7-15(14)16/h1-3,5-8,18H,4,9-13H2,(H,23,24,26)
InChIKeyWVHFKDJAOSGZKG-UHFFFAOYSA-N
MW407.50 g/mol
LogP3.61
Rot. Bonds3

About N-[5-(naphthalene-1-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]oxolane-2-carboxamide

N-[5-(naphthalene-1-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]oxolane-2-carboxamide (PubChem CID 90526029) has the molecular formula C22H21N3O3S and a molecular weight of 407.50 g/mol. Its IUPAC name is N-[5-(naphthalene-1-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[5-(naphthalene-1-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]oxolane-2-carboxamide
PubChem CID90526029
Molecular FormulaC22H21N3O3S
Molecular Weight407.50 g/mol
Exact Mass407.13
IUPAC NameN-[5-(naphthalene-1-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]oxolane-2-carboxamide
SMILESO=C(Nc1nc2c(s1)CN(C(=O)c1cccc3ccccc13)CC2)C1CCCO1
InChIInChI=1S/C22H21N3O3S/c26-20(18-9-4-12-28-18)24-22-23-17-10-11-25(13-19(17)29-22)21(27)16-8-3-6-14-5-1-2-7-15(14)16/h1-3,5-8,18H,4,9-13H2,(H,23,24,26)
InChIKeyWVHFKDJAOSGZKG-UHFFFAOYSA-N
XLogP3.61
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.50
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(2-bromobenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]oxolane-2-carboxamide
CID 90526007
N-[5-(2-phenoxybenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]oxolane-2-carboxamide
CID 90525949
N-[5-(5-methyl-1-phenylpyrazole-4-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]oxolane-2-carboxamide
CID 71788013
N-[5-(3-chlorobenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]oxolane-2-carboxamide
CID 90526005
N-[5-(1H-indole-2-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]oxolane-2-carboxamide
CID 90525922
2-(oxolane-2-carbonylamino)-N-(3-phenylpropyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
CID 90526316
N-[5-(4-fluorobenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]oxolane-2-carboxamide
CID 90526003
2-(oxolane-2-carbonylamino)-N-(2-phenylethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
CID 90526295
N-[5-(3,4-dimethylbenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]oxolane-2-carboxamide
CID 90525984
N-[5-(7-methoxy-1-benzofuran-2-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]oxolane-2-carboxamide
CID 71788010
N-[5-(3,5-dimethoxybenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]oxolane-2-carboxamide
CID 90525996
N-[5-[2-(2-fluorophenoxy)acetyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]oxolane-2-carboxamide
CID 90526050

Frequently Asked Questions

What is the IUPAC name of N-[5-(naphthalene-1-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]oxolane-2-carboxamide?
The IUPAC name of N-[5-(naphthalene-1-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]oxolane-2-carboxamide (CID 90526029) is N-[5-(naphthalene-1-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]oxolane-2-carboxamide.
What is the SMILES notation for N-[5-(naphthalene-1-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]oxolane-2-carboxamide?
The canonical SMILES for N-[5-(naphthalene-1-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]oxolane-2-carboxamide is O=C(Nc1nc2c(s1)CN(C(=O)c1cccc3ccccc13)CC2)C1CCCO1.
What is the InChIKey of N-[5-(naphthalene-1-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]oxolane-2-carboxamide?
The InChIKey is WVHFKDJAOSGZKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3S/c26-20(18-9-4-12-28-18)24-22-23-17-10-11-25(13-19(17)29-22)21(27)16-8-3-6-14-5-1-2-7-15(14)16/h1-3,5-8,18H,4,9-13H2,(H,23,24,26).
What are the key properties of N-[5-(naphthalene-1-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]oxolane-2-carboxamide?
N-[5-(naphthalene-1-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]oxolane-2-carboxamide has a molecular weight of 407.50 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(naphthalene-1-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]oxolane-2-carboxamide is sourced from PubChem (CID 90526029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).