(3S)-6-methoxy-N-methyl-N-(1,3,4-thiadiazol-2-yl)-3,4-dihydro-2H-chromene-3-carboxamide

C14H15N3O3S — CID 124617356

IUPAC(3S)-6-methoxy-N-methyl-N-(1,3,4-thiadiazol-2-yl)-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCOc1ccc2c(c1)C[C@H](C(=O)N(C)c1nncs1)CO2
InChIInChI=1S/C14H15N3O3S/c1-17(14-16-15-8-21-14)13(18)10-5-9-6-11(19-2)3-4-12(9)20-7-10/h3-4,6,8,10H,5,7H2,1-2H3/t10-/m0/s1
InChIKeyXJHCHZLIWLYOER-JTQLQIEISA-N
MW305.36 g/mol
LogP1.76
Rot. Bonds3

About (3S)-6-methoxy-N-methyl-N-(1,3,4-thiadiazol-2-yl)-3,4-dihydro-2H-chromene-3-carboxamide

(3S)-6-methoxy-N-methyl-N-(1,3,4-thiadiazol-2-yl)-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 124617356) has the molecular formula C14H15N3O3S and a molecular weight of 305.36 g/mol. Its IUPAC name is (3S)-6-methoxy-N-methyl-N-(1,3,4-thiadiazol-2-yl)-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound Name(3S)-6-methoxy-N-methyl-N-(1,3,4-thiadiazol-2-yl)-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID124617356
Molecular FormulaC14H15N3O3S
Molecular Weight305.36 g/mol
Exact Mass305.08
IUPAC Name(3S)-6-methoxy-N-methyl-N-(1,3,4-thiadiazol-2-yl)-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCOc1ccc2c(c1)C[C@H](C(=O)N(C)c1nncs1)CO2
InChIInChI=1S/C14H15N3O3S/c1-17(14-16-15-8-21-14)13(18)10-5-9-6-11(19-2)3-4-12(9)20-7-10/h3-4,6,8,10H,5,7H2,1-2H3/t10-/m0/s1
InChIKeyXJHCHZLIWLYOER-JTQLQIEISA-N
XLogP1.76
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3S)-6-methoxy-N-methyl-N-(1,3,4-thiadiazol-2-yl)-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of (3S)-6-methoxy-N-methyl-N-(1,3,4-thiadiazol-2-yl)-3,4-dihydro-2H-chromene-3-carboxamide (CID 124617356) is (3S)-6-methoxy-N-methyl-N-(1,3,4-thiadiazol-2-yl)-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for (3S)-6-methoxy-N-methyl-N-(1,3,4-thiadiazol-2-yl)-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for (3S)-6-methoxy-N-methyl-N-(1,3,4-thiadiazol-2-yl)-3,4-dihydro-2H-chromene-3-carboxamide is COc1ccc2c(c1)C[C@H](C(=O)N(C)c1nncs1)CO2.
What is the InChIKey of (3S)-6-methoxy-N-methyl-N-(1,3,4-thiadiazol-2-yl)-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is XJHCHZLIWLYOER-JTQLQIEISA-N. The full InChI is InChI=1S/C14H15N3O3S/c1-17(14-16-15-8-21-14)13(18)10-5-9-6-11(19-2)3-4-12(9)20-7-10/h3-4,6,8,10H,5,7H2,1-2H3/t10-/m0/s1.
What are the key properties of (3S)-6-methoxy-N-methyl-N-(1,3,4-thiadiazol-2-yl)-3,4-dihydro-2H-chromene-3-carboxamide?
(3S)-6-methoxy-N-methyl-N-(1,3,4-thiadiazol-2-yl)-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 305.36 g/mol, XLogP of 1.76, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-6-methoxy-N-methyl-N-(1,3,4-thiadiazol-2-yl)-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 124617356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).