N-[5-[2-(2-methoxyethylamino)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-3-carboxamide

C16H20N4O3S2 — CID 90532198

IUPACN-[5-[2-(2-methoxyethylamino)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-3-carboxamide
SMILESCOCCNC(=O)CN1CCc2nc(NC(=O)c3ccsc3)sc2C1
InChIInChI=1S/C16H20N4O3S2/c1-23-6-4-17-14(21)9-20-5-2-12-13(8-20)25-16(18-12)19-15(22)11-3-7-24-10-11/h3,7,10H,2,4-6,8-9H2,1H3,(H,17,21)(H,18,19,22)
InChIKeyMBGOBWVPSSETSU-UHFFFAOYSA-N
MW380.50 g/mol
LogP1.58
Rot. Bonds7

About N-[5-[2-(2-methoxyethylamino)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-3-carboxamide

N-[5-[2-(2-methoxyethylamino)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-3-carboxamide (PubChem CID 90532198) has the molecular formula C16H20N4O3S2 and a molecular weight of 380.50 g/mol. Its IUPAC name is N-[5-[2-(2-methoxyethylamino)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[5-[2-(2-methoxyethylamino)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-3-carboxamide
PubChem CID90532198
Molecular FormulaC16H20N4O3S2
Molecular Weight380.50 g/mol
Exact Mass380.10
IUPAC NameN-[5-[2-(2-methoxyethylamino)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-3-carboxamide
SMILESCOCCNC(=O)CN1CCc2nc(NC(=O)c3ccsc3)sc2C1
InChIInChI=1S/C16H20N4O3S2/c1-23-6-4-17-14(21)9-20-5-2-12-13(8-20)25-16(18-12)19-15(22)11-3-7-24-10-11/h3,7,10H,2,4-6,8-9H2,1H3,(H,17,21)(H,18,19,22)
InChIKeyMBGOBWVPSSETSU-UHFFFAOYSA-N
XLogP1.58
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.50
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[5-[2-(4-methylanilino)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-3-carboxamide
CID 90532137
N-[5-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-3-carboxamide
CID 90532142
2-[2-(cyclopentylcarbamoylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-N-(2-methoxyethyl)acetamide
CID 90529561
N-[5-[(4-chlorophenyl)methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-3-carboxamide
CID 90532209
N-[5-[(3-chlorophenyl)methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-3-carboxamide
CID 90532221
N-[5-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-3-carboxamide
CID 90532216
N-[5-[(4-phenylmethoxyphenyl)methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-3-carboxamide
CID 90532229
N-[5-[2-(4-methylphenoxy)acetyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-3-carboxamide
CID 90532033
N-[5-[2-(ethylamino)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyridine-2-carboxamide
CID 90528577
2-(2-acetamido-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-N-ethylacetamide
CID 90525295
N-[5-(4-bromobenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-3-carboxamide
CID 90532001
N-[5-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide
CID 90531763

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(2-methoxyethylamino)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-3-carboxamide?
The IUPAC name of N-[5-[2-(2-methoxyethylamino)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-3-carboxamide (CID 90532198) is N-[5-[2-(2-methoxyethylamino)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-3-carboxamide.
What is the SMILES notation for N-[5-[2-(2-methoxyethylamino)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-3-carboxamide?
The canonical SMILES for N-[5-[2-(2-methoxyethylamino)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-3-carboxamide is COCCNC(=O)CN1CCc2nc(NC(=O)c3ccsc3)sc2C1.
What is the InChIKey of N-[5-[2-(2-methoxyethylamino)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-3-carboxamide?
The InChIKey is MBGOBWVPSSETSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3S2/c1-23-6-4-17-14(21)9-20-5-2-12-13(8-20)25-16(18-12)19-15(22)11-3-7-24-10-11/h3,7,10H,2,4-6,8-9H2,1H3,(H,17,21)(H,18,19,22).
What are the key properties of N-[5-[2-(2-methoxyethylamino)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-3-carboxamide?
N-[5-[2-(2-methoxyethylamino)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-3-carboxamide has a molecular weight of 380.50 g/mol, XLogP of 1.58, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(2-methoxyethylamino)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-3-carboxamide is sourced from PubChem (CID 90532198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).