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

C17H14N2O2S2 — CID 47869386

IUPACN-methyl-N-(1,3-thiazol-4-ylmethyl)-4H-thieno[3,2-c]chromene-2-carboxamide
SMILESCN(Cc1cscn1)C(=O)c1cc2c(s1)-c1ccccc1OC2
InChIInChI=1S/C17H14N2O2S2/c1-19(7-12-9-22-10-18-12)17(20)15-6-11-8-21-14-5-3-2-4-13(14)16(11)23-15/h2-6,9-10H,7-8H2,1H3
InChIKeySIIUDKGPDMWHEK-UHFFFAOYSA-N
MW342.45 g/mol
LogP4.04
Rot. Bonds3

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

N-methyl-N-(1,3-thiazol-4-ylmethyl)-4H-thieno[3,2-c]chromene-2-carboxamide (PubChem CID 47869386) has the molecular formula C17H14N2O2S2 and a molecular weight of 342.45 g/mol. Its IUPAC name is N-methyl-N-(1,3-thiazol-4-ylmethyl)-4H-thieno[3,2-c]chromene-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(1,3-thiazol-4-ylmethyl)-4H-thieno[3,2-c]chromene-2-carboxamide
PubChem CID47869386
Molecular FormulaC17H14N2O2S2
Molecular Weight342.45 g/mol
Exact Mass342.05
IUPAC NameN-methyl-N-(1,3-thiazol-4-ylmethyl)-4H-thieno[3,2-c]chromene-2-carboxamide
SMILESCN(Cc1cscn1)C(=O)c1cc2c(s1)-c1ccccc1OC2
InChIInChI=1S/C17H14N2O2S2/c1-19(7-12-9-22-10-18-12)17(20)15-6-11-8-21-14-5-3-2-4-13(14)16(11)23-15/h2-6,9-10H,7-8H2,1H3
InChIKeySIIUDKGPDMWHEK-UHFFFAOYSA-N
XLogP4.04
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.45
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1,3-thiazol-4-ylmethyl)-4H-thieno[3,2-c]chromene-2-carboxamide?
The IUPAC name of N-methyl-N-(1,3-thiazol-4-ylmethyl)-4H-thieno[3,2-c]chromene-2-carboxamide (CID 47869386) is N-methyl-N-(1,3-thiazol-4-ylmethyl)-4H-thieno[3,2-c]chromene-2-carboxamide.
What is the SMILES notation for N-methyl-N-(1,3-thiazol-4-ylmethyl)-4H-thieno[3,2-c]chromene-2-carboxamide?
The canonical SMILES for N-methyl-N-(1,3-thiazol-4-ylmethyl)-4H-thieno[3,2-c]chromene-2-carboxamide is CN(Cc1cscn1)C(=O)c1cc2c(s1)-c1ccccc1OC2.
What is the InChIKey of N-methyl-N-(1,3-thiazol-4-ylmethyl)-4H-thieno[3,2-c]chromene-2-carboxamide?
The InChIKey is SIIUDKGPDMWHEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2S2/c1-19(7-12-9-22-10-18-12)17(20)15-6-11-8-21-14-5-3-2-4-13(14)16(11)23-15/h2-6,9-10H,7-8H2,1H3.
What are the key properties of N-methyl-N-(1,3-thiazol-4-ylmethyl)-4H-thieno[3,2-c]chromene-2-carboxamide?
N-methyl-N-(1,3-thiazol-4-ylmethyl)-4H-thieno[3,2-c]chromene-2-carboxamide has a molecular weight of 342.45 g/mol, XLogP of 4.04, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1,3-thiazol-4-ylmethyl)-4H-thieno[3,2-c]chromene-2-carboxamide is sourced from PubChem (CID 47869386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).