7-methoxy-N-methyl-N-(1,3-thiazol-4-ylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide

C16H18N2O3S — CID 49163224

IUPAC7-methoxy-N-methyl-N-(1,3-thiazol-4-ylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCOc1ccc2c(c1)OCC(C(=O)N(C)Cc1cscn1)C2
InChIInChI=1S/C16H18N2O3S/c1-18(7-13-9-22-10-17-13)16(19)12-5-11-3-4-14(20-2)6-15(11)21-8-12/h3-4,6,9-10,12H,5,7-8H2,1-2H3
InChIKeyZYKYJYXMOWSUIF-UHFFFAOYSA-N
MW318.40 g/mol
LogP2.36
Rot. Bonds4

About 7-methoxy-N-methyl-N-(1,3-thiazol-4-ylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide

7-methoxy-N-methyl-N-(1,3-thiazol-4-ylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 49163224) has the molecular formula C16H18N2O3S and a molecular weight of 318.40 g/mol. Its IUPAC name is 7-methoxy-N-methyl-N-(1,3-thiazol-4-ylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound Name7-methoxy-N-methyl-N-(1,3-thiazol-4-ylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID49163224
Molecular FormulaC16H18N2O3S
Molecular Weight318.40 g/mol
Exact Mass318.10
IUPAC Name7-methoxy-N-methyl-N-(1,3-thiazol-4-ylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCOc1ccc2c(c1)OCC(C(=O)N(C)Cc1cscn1)C2
InChIInChI=1S/C16H18N2O3S/c1-18(7-13-9-22-10-17-13)16(19)12-5-11-3-4-14(20-2)6-15(11)21-8-12/h3-4,6,9-10,12H,5,7-8H2,1-2H3
InChIKeyZYKYJYXMOWSUIF-UHFFFAOYSA-N
XLogP2.36
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-N-methyl-N-(1,3-thiazol-4-ylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of 7-methoxy-N-methyl-N-(1,3-thiazol-4-ylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide (CID 49163224) is 7-methoxy-N-methyl-N-(1,3-thiazol-4-ylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for 7-methoxy-N-methyl-N-(1,3-thiazol-4-ylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for 7-methoxy-N-methyl-N-(1,3-thiazol-4-ylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide is COc1ccc2c(c1)OCC(C(=O)N(C)Cc1cscn1)C2.
What is the InChIKey of 7-methoxy-N-methyl-N-(1,3-thiazol-4-ylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is ZYKYJYXMOWSUIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3S/c1-18(7-13-9-22-10-17-13)16(19)12-5-11-3-4-14(20-2)6-15(11)21-8-12/h3-4,6,9-10,12H,5,7-8H2,1-2H3.
What are the key properties of 7-methoxy-N-methyl-N-(1,3-thiazol-4-ylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide?
7-methoxy-N-methyl-N-(1,3-thiazol-4-ylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 318.40 g/mol, XLogP of 2.36, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-N-methyl-N-(1,3-thiazol-4-ylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 49163224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).