N-(3-methyl-1,3-thiazol-2-ylidene)-4H-thieno[3,2-c]chromene-2-carboxamide

C16H12N2O2S2 — CID 31495607

IUPACN-(3-methyl-1,3-thiazol-2-ylidene)-4H-thieno[3,2-c]chromene-2-carboxamide
SMILESCn1ccs/c1=N\C(=O)c1cc2c(s1)-c1ccccc1OC2
InChIInChI=1S/C16H12N2O2S2/c1-18-6-7-21-16(18)17-15(19)13-8-10-9-20-12-5-3-2-4-11(12)14(10)22-13/h2-8H,9H2,1H3/b17-16-
InChIKeyBSAZARXBGIHAFX-MSUUIHNZSA-N
MW328.42 g/mol
LogP3.45
Rot. Bonds1

About N-(3-methyl-1,3-thiazol-2-ylidene)-4H-thieno[3,2-c]chromene-2-carboxamide

N-(3-methyl-1,3-thiazol-2-ylidene)-4H-thieno[3,2-c]chromene-2-carboxamide (PubChem CID 31495607) has the molecular formula C16H12N2O2S2 and a molecular weight of 328.42 g/mol. Its IUPAC name is N-(3-methyl-1,3-thiazol-2-ylidene)-4H-thieno[3,2-c]chromene-2-carboxamide.

Molecular Properties

Compound NameN-(3-methyl-1,3-thiazol-2-ylidene)-4H-thieno[3,2-c]chromene-2-carboxamide
PubChem CID31495607
Molecular FormulaC16H12N2O2S2
Molecular Weight328.42 g/mol
Exact Mass328.03
IUPAC NameN-(3-methyl-1,3-thiazol-2-ylidene)-4H-thieno[3,2-c]chromene-2-carboxamide
SMILESCn1ccs/c1=N\C(=O)c1cc2c(s1)-c1ccccc1OC2
InChIInChI=1S/C16H12N2O2S2/c1-18-6-7-21-16(18)17-15(19)13-8-10-9-20-12-5-3-2-4-11(12)14(10)22-13/h2-8H,9H2,1H3/b17-16-
InChIKeyBSAZARXBGIHAFX-MSUUIHNZSA-N
XLogP3.45
TPSA43.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-1,3-thiazol-2-ylidene)-4H-thieno[3,2-c]chromene-2-carboxamide?
The IUPAC name of N-(3-methyl-1,3-thiazol-2-ylidene)-4H-thieno[3,2-c]chromene-2-carboxamide (CID 31495607) is N-(3-methyl-1,3-thiazol-2-ylidene)-4H-thieno[3,2-c]chromene-2-carboxamide.
What is the SMILES notation for N-(3-methyl-1,3-thiazol-2-ylidene)-4H-thieno[3,2-c]chromene-2-carboxamide?
The canonical SMILES for N-(3-methyl-1,3-thiazol-2-ylidene)-4H-thieno[3,2-c]chromene-2-carboxamide is Cn1ccs/c1=N\C(=O)c1cc2c(s1)-c1ccccc1OC2.
What is the InChIKey of N-(3-methyl-1,3-thiazol-2-ylidene)-4H-thieno[3,2-c]chromene-2-carboxamide?
The InChIKey is BSAZARXBGIHAFX-MSUUIHNZSA-N. The full InChI is InChI=1S/C16H12N2O2S2/c1-18-6-7-21-16(18)17-15(19)13-8-10-9-20-12-5-3-2-4-11(12)14(10)22-13/h2-8H,9H2,1H3/b17-16-.
What are the key properties of N-(3-methyl-1,3-thiazol-2-ylidene)-4H-thieno[3,2-c]chromene-2-carboxamide?
N-(3-methyl-1,3-thiazol-2-ylidene)-4H-thieno[3,2-c]chromene-2-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 3.45, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-1,3-thiazol-2-ylidene)-4H-thieno[3,2-c]chromene-2-carboxamide is sourced from PubChem (CID 31495607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).