N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-4-oxochromene-2-carboxamide

C19H14N2O3S2 — CID 71795410

IUPACN-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-4-oxochromene-2-carboxamide
SMILESCc1nc(-c2cccs2)sc1CNC(=O)c1cc(=O)c2ccccc2o1
InChIInChI=1S/C19H14N2O3S2/c1-11-17(26-19(21-11)16-7-4-8-25-16)10-20-18(23)15-9-13(22)12-5-2-3-6-14(12)24-15/h2-9H,10H2,1H3,(H,20,23)
InChIKeyHVXPBOFEFARECR-UHFFFAOYSA-N
MW382.47 g/mol
LogP4.22
Rot. Bonds4

About N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-4-oxochromene-2-carboxamide

N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-4-oxochromene-2-carboxamide (PubChem CID 71795410) has the molecular formula C19H14N2O3S2 and a molecular weight of 382.47 g/mol. Its IUPAC name is N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-4-oxochromene-2-carboxamide.

Molecular Properties

Compound NameN-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-4-oxochromene-2-carboxamide
PubChem CID71795410
Molecular FormulaC19H14N2O3S2
Molecular Weight382.47 g/mol
Exact Mass382.04
IUPAC NameN-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-4-oxochromene-2-carboxamide
SMILESCc1nc(-c2cccs2)sc1CNC(=O)c1cc(=O)c2ccccc2o1
InChIInChI=1S/C19H14N2O3S2/c1-11-17(26-19(21-11)16-7-4-8-25-16)10-20-18(23)15-9-13(22)12-5-2-3-6-14(12)24-15/h2-9H,10H2,1H3,(H,20,23)
InChIKeyHVXPBOFEFARECR-UHFFFAOYSA-N
XLogP4.22
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-4-oxochromene-2-carboxamide?
The IUPAC name of N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-4-oxochromene-2-carboxamide (CID 71795410) is N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-4-oxochromene-2-carboxamide.
What is the SMILES notation for N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-4-oxochromene-2-carboxamide?
The canonical SMILES for N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-4-oxochromene-2-carboxamide is Cc1nc(-c2cccs2)sc1CNC(=O)c1cc(=O)c2ccccc2o1.
What is the InChIKey of N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-4-oxochromene-2-carboxamide?
The InChIKey is HVXPBOFEFARECR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O3S2/c1-11-17(26-19(21-11)16-7-4-8-25-16)10-20-18(23)15-9-13(22)12-5-2-3-6-14(12)24-15/h2-9H,10H2,1H3,(H,20,23).
What are the key properties of N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-4-oxochromene-2-carboxamide?
N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-4-oxochromene-2-carboxamide has a molecular weight of 382.47 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-4-oxochromene-2-carboxamide is sourced from PubChem (CID 71795410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).