2-(hydrazinecarbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide

C9H12N4O3S — CID 69450407

IUPAC2-(hydrazinecarbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide
SMILESNNC(=O)Nc1sc2c(c1C(N)=O)CCOC2
InChIInChI=1S/C9H12N4O3S/c10-7(14)6-4-1-2-16-3-5(4)17-8(6)12-9(15)13-11/h1-3,11H2,(H2,10,14)(H2,12,13,15)
InChIKeyDEHJDFFFMORULA-UHFFFAOYSA-N
MW256.29 g/mol
LogP-0.09
Rot. Bonds2

About 2-(hydrazinecarbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide

2-(hydrazinecarbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide (PubChem CID 69450407) has the molecular formula C9H12N4O3S and a molecular weight of 256.29 g/mol. Its IUPAC name is 2-(hydrazinecarbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide.

Molecular Properties

Compound Name2-(hydrazinecarbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide
PubChem CID69450407
Molecular FormulaC9H12N4O3S
Molecular Weight256.29 g/mol
Exact Mass256.06
IUPAC Name2-(hydrazinecarbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide
SMILESNNC(=O)Nc1sc2c(c1C(N)=O)CCOC2
InChIInChI=1S/C9H12N4O3S/c10-7(14)6-4-1-2-16-3-5(4)17-8(6)12-9(15)13-11/h1-3,11H2,(H2,10,14)(H2,12,13,15)
InChIKeyDEHJDFFFMORULA-UHFFFAOYSA-N
XLogP-0.09
TPSA119.47 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.29
LogP ≤ 5-0.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(dimethylcarbamoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide
CID 69448613
2-(oxolane-3-carbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide
CID 69447723
2-[(2-ethylphenyl)carbamoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide
CID 69450304
2-[bis(2-hydroxyethyl)carbamoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide
CID 69449815
2-[(3-fluorophenyl)carbamoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide
CID 69448121
2-[(3-iodophenyl)carbamoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide
CID 69445676
2-(2-thiophen-2-ylethylcarbamoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide
CID 69453010
2-[(5-methylfuran-2-yl)methylcarbamoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide
CID 69448827
2-[5-(diethylamino)pentan-2-ylcarbamoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide
CID 69449404
2-[[2-chloro-5-(trifluoromethyl)phenyl]carbamoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide
CID 69450288
2-[(2-methyl-5-nitrophenyl)carbamoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide
CID 69449450
2-[[2-(2,6-dichlorophenyl)sulfanylacetyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide
CID 69446712

Frequently Asked Questions

What is the IUPAC name of 2-(hydrazinecarbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide?
The IUPAC name of 2-(hydrazinecarbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide (CID 69450407) is 2-(hydrazinecarbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide.
What is the SMILES notation for 2-(hydrazinecarbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide?
The canonical SMILES for 2-(hydrazinecarbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide is NNC(=O)Nc1sc2c(c1C(N)=O)CCOC2.
What is the InChIKey of 2-(hydrazinecarbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide?
The InChIKey is DEHJDFFFMORULA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O3S/c10-7(14)6-4-1-2-16-3-5(4)17-8(6)12-9(15)13-11/h1-3,11H2,(H2,10,14)(H2,12,13,15).
What are the key properties of 2-(hydrazinecarbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide?
2-(hydrazinecarbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide has a molecular weight of 256.29 g/mol, XLogP of -0.09, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydrazinecarbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide is sourced from PubChem (CID 69450407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).