6-methoxy-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-3,4-dihydro-2H-chromene-3-carboxamide

C16H19N3O3S2 — CID 70734368

IUPAC6-methoxy-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCOc1ccc2c(c1)CC(C(=O)NCCSc1nnc(C)s1)CO2
InChIInChI=1S/C16H19N3O3S2/c1-10-18-19-16(24-10)23-6-5-17-15(20)12-7-11-8-13(21-2)3-4-14(11)22-9-12/h3-4,8,12H,5-7,9H2,1-2H3,(H,17,20)
InChIKeyLTGXZNUGYSOYPI-UHFFFAOYSA-N
MW365.48 g/mol
LogP2.31
Rot. Bonds6

About 6-methoxy-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-3,4-dihydro-2H-chromene-3-carboxamide

6-methoxy-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 70734368) has the molecular formula C16H19N3O3S2 and a molecular weight of 365.48 g/mol. Its IUPAC name is 6-methoxy-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound Name6-methoxy-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID70734368
Molecular FormulaC16H19N3O3S2
Molecular Weight365.48 g/mol
Exact Mass365.09
IUPAC Name6-methoxy-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCOc1ccc2c(c1)CC(C(=O)NCCSc1nnc(C)s1)CO2
InChIInChI=1S/C16H19N3O3S2/c1-10-18-19-16(24-10)23-6-5-17-15(20)12-7-11-8-13(21-2)3-4-14(11)22-9-12/h3-4,8,12H,5-7,9H2,1-2H3,(H,17,20)
InChIKeyLTGXZNUGYSOYPI-UHFFFAOYSA-N
XLogP2.31
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-methoxy-N-propyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 22578230
3-[(6-methoxy-3,4-dihydro-2H-chromene-3-carbonyl)amino]propanoic acid
CID 119350891
N-[(3,4-dimethoxyphenyl)methyl]-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 22578299
N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 22578277
(3S)-6-methoxy-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 99816809
6-methoxy-N-(3-piperidin-1-ylpropyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 22578278
6-methoxy-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 46968995
6-methoxy-N-(thiophen-2-ylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 22578255
(3S)-N-[(2,4-dimethoxyphenyl)methyl]-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 92713329
(3S)-N-[3-(1-adamantyloxy)propyl]-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 92713321
N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-2,3,4,5-tetrahydro-1-benzoxepine-4-carboxamide
CID 72868502
(3S)-7-methoxy-N-[2-(trifluoromethylsulfanyl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 95050077

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of 6-methoxy-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-3,4-dihydro-2H-chromene-3-carboxamide (CID 70734368) is 6-methoxy-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for 6-methoxy-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for 6-methoxy-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-3,4-dihydro-2H-chromene-3-carboxamide is COc1ccc2c(c1)CC(C(=O)NCCSc1nnc(C)s1)CO2.
What is the InChIKey of 6-methoxy-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is LTGXZNUGYSOYPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3S2/c1-10-18-19-16(24-10)23-6-5-17-15(20)12-7-11-8-13(21-2)3-4-14(11)22-9-12/h3-4,8,12H,5-7,9H2,1-2H3,(H,17,20).
What are the key properties of 6-methoxy-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-3,4-dihydro-2H-chromene-3-carboxamide?
6-methoxy-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 365.48 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 70734368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).