2-(3-morpholin-4-ylpropylcarbamoylamino)-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxamide

C16H24N4O3S2 — CID 69450599

IUPAC2-(3-morpholin-4-ylpropylcarbamoylamino)-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxamide
SMILESNC(=O)c1c(NC(=O)NCCCN2CCOCC2)sc2c1CCSC2
InChIInChI=1S/C16H24N4O3S2/c17-14(21)13-11-2-9-24-10-12(11)25-15(13)19-16(22)18-3-1-4-20-5-7-23-8-6-20/h1-10H2,(H2,17,21)(H2,18,19,22)
InChIKeyCWFWQHTUGBQEGE-UHFFFAOYSA-N
MW384.53 g/mol
LogP1.48
Rot. Bonds6

About 2-(3-morpholin-4-ylpropylcarbamoylamino)-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxamide

2-(3-morpholin-4-ylpropylcarbamoylamino)-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxamide (PubChem CID 69450599) has the molecular formula C16H24N4O3S2 and a molecular weight of 384.53 g/mol. Its IUPAC name is 2-(3-morpholin-4-ylpropylcarbamoylamino)-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxamide.

Molecular Properties

Compound Name2-(3-morpholin-4-ylpropylcarbamoylamino)-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxamide
PubChem CID69450599
Molecular FormulaC16H24N4O3S2
Molecular Weight384.53 g/mol
Exact Mass384.13
IUPAC Name2-(3-morpholin-4-ylpropylcarbamoylamino)-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxamide
SMILESNC(=O)c1c(NC(=O)NCCCN2CCOCC2)sc2c1CCSC2
InChIInChI=1S/C16H24N4O3S2/c17-14(21)13-11-2-9-24-10-12(11)25-15(13)19-16(22)18-3-1-4-20-5-7-23-8-6-20/h1-10H2,(H2,17,21)(H2,18,19,22)
InChIKeyCWFWQHTUGBQEGE-UHFFFAOYSA-N
XLogP1.48
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.53
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-(3-morpholin-4-ylpropylcarbamoylamino)-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2-morpholin-4-ylacetyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 675342
2-(3-morpholin-4-ylpropylcarbamoylamino)thiophene-3-carboxylic acid
CID 63114115
2-[(4-fluorophenyl)carbamoylamino]-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxamide
CID 69445146
3-[(5-chlorothiophen-2-yl)methoxy]-5-(3-morpholin-4-ylpropylcarbamoylamino)-1,2-thiazole-4-carboxamide
CID 54386247
2-[(2-morpholin-4-ylacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide;oxalic acid
CID 2829805
2-[(3,5-dimethoxyphenyl)carbamoylamino]-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxamide
CID 69450627
1-[5-methyl-2-(trifluoromethyl)furan-3-yl]-3-(3-morpholin-4-ylpropyl)urea
CID 2811707
1-(3-morpholin-4-ylpropyl)-3-thiophen-2-ylurea
CID 108889167
2-[(2-nitrophenyl)carbamoylamino]-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxamide
CID 69447010
2-(2-thiophen-2-ylethylcarbamoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide
CID 69453010
2-(hydrazinecarbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide
CID 69450407
2-(3-methylbutylcarbamoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 69452121

Frequently Asked Questions

What is the IUPAC name of 2-(3-morpholin-4-ylpropylcarbamoylamino)-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxamide?
The IUPAC name of 2-(3-morpholin-4-ylpropylcarbamoylamino)-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxamide (CID 69450599) is 2-(3-morpholin-4-ylpropylcarbamoylamino)-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxamide.
What is the SMILES notation for 2-(3-morpholin-4-ylpropylcarbamoylamino)-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxamide?
The canonical SMILES for 2-(3-morpholin-4-ylpropylcarbamoylamino)-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxamide is NC(=O)c1c(NC(=O)NCCCN2CCOCC2)sc2c1CCSC2.
What is the InChIKey of 2-(3-morpholin-4-ylpropylcarbamoylamino)-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxamide?
The InChIKey is CWFWQHTUGBQEGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O3S2/c17-14(21)13-11-2-9-24-10-12(11)25-15(13)19-16(22)18-3-1-4-20-5-7-23-8-6-20/h1-10H2,(H2,17,21)(H2,18,19,22).
What are the key properties of 2-(3-morpholin-4-ylpropylcarbamoylamino)-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxamide?
2-(3-morpholin-4-ylpropylcarbamoylamino)-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxamide has a molecular weight of 384.53 g/mol, XLogP of 1.48, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-morpholin-4-ylpropylcarbamoylamino)-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxamide is sourced from PubChem (CID 69450599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).