4-amino-3,4-dihydro-2H-thiochromene-8-carboxamide

C10H12N2OS — CID 130044587

IUPAC4-amino-3,4-dihydro-2H-thiochromene-8-carboxamide
SMILESNC(=O)c1cccc2c1SCCC2N
InChIInChI=1S/C10H12N2OS/c11-8-4-5-14-9-6(8)2-1-3-7(9)10(12)13/h1-3,8H,4-5,11H2,(H2,12,13)
InChIKeyKNIODHXJEDDCKX-UHFFFAOYSA-N
MW208.29 g/mol
LogP1.28
Rot. Bonds1

About 4-amino-3,4-dihydro-2H-thiochromene-8-carboxamide

4-amino-3,4-dihydro-2H-thiochromene-8-carboxamide (PubChem CID 130044587) has the molecular formula C10H12N2OS and a molecular weight of 208.29 g/mol. Its IUPAC name is 4-amino-3,4-dihydro-2H-thiochromene-8-carboxamide.

Molecular Properties

Compound Name4-amino-3,4-dihydro-2H-thiochromene-8-carboxamide
PubChem CID130044587
Molecular FormulaC10H12N2OS
Molecular Weight208.29 g/mol
Exact Mass208.07
IUPAC Name4-amino-3,4-dihydro-2H-thiochromene-8-carboxamide
SMILESNC(=O)c1cccc2c1SCCC2N
InChIInChI=1S/C10H12N2OS/c11-8-4-5-14-9-6(8)2-1-3-7(9)10(12)13/h1-3,8H,4-5,11H2,(H2,12,13)
InChIKeyKNIODHXJEDDCKX-UHFFFAOYSA-N
XLogP1.28
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.29
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3,4-dihydro-2H-thiochromene-8-carboxamide?
The IUPAC name of 4-amino-3,4-dihydro-2H-thiochromene-8-carboxamide (CID 130044587) is 4-amino-3,4-dihydro-2H-thiochromene-8-carboxamide.
What is the SMILES notation for 4-amino-3,4-dihydro-2H-thiochromene-8-carboxamide?
The canonical SMILES for 4-amino-3,4-dihydro-2H-thiochromene-8-carboxamide is NC(=O)c1cccc2c1SCCC2N.
What is the InChIKey of 4-amino-3,4-dihydro-2H-thiochromene-8-carboxamide?
The InChIKey is KNIODHXJEDDCKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2OS/c11-8-4-5-14-9-6(8)2-1-3-7(9)10(12)13/h1-3,8H,4-5,11H2,(H2,12,13).
What are the key properties of 4-amino-3,4-dihydro-2H-thiochromene-8-carboxamide?
4-amino-3,4-dihydro-2H-thiochromene-8-carboxamide has a molecular weight of 208.29 g/mol, XLogP of 1.28, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3,4-dihydro-2H-thiochromene-8-carboxamide is sourced from PubChem (CID 130044587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).