N-(4H-thieno[3,2-c]chromen-2-yl)formamide

C12H9NO2S — CID 54088902

IUPACN-(4H-thieno[3,2-c]chromen-2-yl)formamide
SMILESO=CNc1cc2c(s1)-c1ccccc1OC2
InChIInChI=1S/C12H9NO2S/c14-7-13-11-5-8-6-15-10-4-2-1-3-9(10)12(8)16-11/h1-5,7H,6H2,(H,13,14)
InChIKeyMSLYDSDWCCGDAC-UHFFFAOYSA-N
MW231.28 g/mol
LogP2.88
Rot. Bonds2

About N-(4H-thieno[3,2-c]chromen-2-yl)formamide

N-(4H-thieno[3,2-c]chromen-2-yl)formamide (PubChem CID 54088902) has the molecular formula C12H9NO2S and a molecular weight of 231.28 g/mol. Its IUPAC name is N-(4H-thieno[3,2-c]chromen-2-yl)formamide.

Molecular Properties

Compound NameN-(4H-thieno[3,2-c]chromen-2-yl)formamide
PubChem CID54088902
Molecular FormulaC12H9NO2S
Molecular Weight231.28 g/mol
Exact Mass231.04
IUPAC NameN-(4H-thieno[3,2-c]chromen-2-yl)formamide
SMILESO=CNc1cc2c(s1)-c1ccccc1OC2
InChIInChI=1S/C12H9NO2S/c14-7-13-11-5-8-6-15-10-4-2-1-3-9(10)12(8)16-11/h1-5,7H,6H2,(H,13,14)
InChIKeyMSLYDSDWCCGDAC-UHFFFAOYSA-N
XLogP2.88
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.28
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4H-thieno[3,2-c]chromen-2-yl)formamide?
The IUPAC name of N-(4H-thieno[3,2-c]chromen-2-yl)formamide (CID 54088902) is N-(4H-thieno[3,2-c]chromen-2-yl)formamide.
What is the SMILES notation for N-(4H-thieno[3,2-c]chromen-2-yl)formamide?
The canonical SMILES for N-(4H-thieno[3,2-c]chromen-2-yl)formamide is O=CNc1cc2c(s1)-c1ccccc1OC2.
What is the InChIKey of N-(4H-thieno[3,2-c]chromen-2-yl)formamide?
The InChIKey is MSLYDSDWCCGDAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NO2S/c14-7-13-11-5-8-6-15-10-4-2-1-3-9(10)12(8)16-11/h1-5,7H,6H2,(H,13,14).
What are the key properties of N-(4H-thieno[3,2-c]chromen-2-yl)formamide?
N-(4H-thieno[3,2-c]chromen-2-yl)formamide has a molecular weight of 231.28 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4H-thieno[3,2-c]chromen-2-yl)formamide is sourced from PubChem (CID 54088902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).