N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-N'-(1,3,4-thiadiazol-2-yl)butanediamide

C17H20N4O3S — CID 131938147

IUPACN-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-N'-(1,3,4-thiadiazol-2-yl)butanediamide
SMILESCOc1cc2c(cc1CNC(=O)CCC(=O)Nc1nncs1)CCC2
InChIInChI=1S/C17H20N4O3S/c1-24-14-8-12-4-2-3-11(12)7-13(14)9-18-15(22)5-6-16(23)20-17-21-19-10-25-17/h7-8,10H,2-6,9H2,1H3,(H,18,22)(H,20,21,23)
InChIKeyDLZPNZCNWYNIKC-UHFFFAOYSA-N
MW360.44 g/mol
LogP2.07
Rot. Bonds7

About N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-N'-(1,3,4-thiadiazol-2-yl)butanediamide

N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-N'-(1,3,4-thiadiazol-2-yl)butanediamide (PubChem CID 131938147) has the molecular formula C17H20N4O3S and a molecular weight of 360.44 g/mol. Its IUPAC name is N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-N'-(1,3,4-thiadiazol-2-yl)butanediamide.

Molecular Properties

Compound NameN-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-N'-(1,3,4-thiadiazol-2-yl)butanediamide
PubChem CID131938147
Molecular FormulaC17H20N4O3S
Molecular Weight360.44 g/mol
Exact Mass360.13
IUPAC NameN-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-N'-(1,3,4-thiadiazol-2-yl)butanediamide
SMILESCOc1cc2c(cc1CNC(=O)CCC(=O)Nc1nncs1)CCC2
InChIInChI=1S/C17H20N4O3S/c1-24-14-8-12-4-2-3-11(12)7-13(14)9-18-15(22)5-6-16(23)20-17-21-19-10-25-17/h7-8,10H,2-6,9H2,1H3,(H,18,22)(H,20,21,23)
InChIKeyDLZPNZCNWYNIKC-UHFFFAOYSA-N
XLogP2.07
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-4-(1H-pyrazol-4-yl)butanamide
CID 72864598
2-(2,3-dihydro-1H-inden-5-yloxy)-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 29369167
4-methyl-N-(1,3,4-thiadiazol-2-yl)pentanamide
CID 44791054
2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 47130862
N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-2-[5-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide
CID 126437647
N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-1-oxo-2H-isoquinoline-4-carboxamide
CID 74244689
(2R)-N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-1-methylazepane-2-carboxamide
CID 97192797
3-bromo-N-[(2,4,5-trimethoxyphenyl)methyl]propanamide
CID 113385120
N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-2-methylpyrimidin-4-amine
CID 135098698
1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-3-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-1-methylurea
CID 122572597
N-[(2-methoxyphenyl)methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 18189509
2-cyclopropyl-N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 74247263

Frequently Asked Questions

What is the IUPAC name of N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-N'-(1,3,4-thiadiazol-2-yl)butanediamide?
The IUPAC name of N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-N'-(1,3,4-thiadiazol-2-yl)butanediamide (CID 131938147) is N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-N'-(1,3,4-thiadiazol-2-yl)butanediamide.
What is the SMILES notation for N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-N'-(1,3,4-thiadiazol-2-yl)butanediamide?
The canonical SMILES for N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-N'-(1,3,4-thiadiazol-2-yl)butanediamide is COc1cc2c(cc1CNC(=O)CCC(=O)Nc1nncs1)CCC2.
What is the InChIKey of N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-N'-(1,3,4-thiadiazol-2-yl)butanediamide?
The InChIKey is DLZPNZCNWYNIKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3S/c1-24-14-8-12-4-2-3-11(12)7-13(14)9-18-15(22)5-6-16(23)20-17-21-19-10-25-17/h7-8,10H,2-6,9H2,1H3,(H,18,22)(H,20,21,23).
What are the key properties of N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-N'-(1,3,4-thiadiazol-2-yl)butanediamide?
N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-N'-(1,3,4-thiadiazol-2-yl)butanediamide has a molecular weight of 360.44 g/mol, XLogP of 2.07, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-N'-(1,3,4-thiadiazol-2-yl)butanediamide is sourced from PubChem (CID 131938147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).