1-benzyl-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]indole-5-carboxamide

C20H18N4O2S — CID 39036630

IUPAC1-benzyl-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]indole-5-carboxamide
SMILESCOCc1nnc(NC(=O)c2ccc3c(ccn3Cc3ccccc3)c2)s1
InChIInChI=1S/C20H18N4O2S/c1-26-13-18-22-23-20(27-18)21-19(25)16-7-8-17-15(11-16)9-10-24(17)12-14-5-3-2-4-6-14/h2-11H,12-13H2,1H3,(H,21,23,25)
InChIKeyPRPIDAIIWSRDSW-UHFFFAOYSA-N
MW378.46 g/mol
LogP3.94
Rot. Bonds6

About 1-benzyl-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]indole-5-carboxamide

1-benzyl-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]indole-5-carboxamide (PubChem CID 39036630) has the molecular formula C20H18N4O2S and a molecular weight of 378.46 g/mol. Its IUPAC name is 1-benzyl-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]indole-5-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]indole-5-carboxamide
PubChem CID39036630
Molecular FormulaC20H18N4O2S
Molecular Weight378.46 g/mol
Exact Mass378.12
IUPAC Name1-benzyl-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]indole-5-carboxamide
SMILESCOCc1nnc(NC(=O)c2ccc3c(ccn3Cc3ccccc3)c2)s1
InChIInChI=1S/C20H18N4O2S/c1-26-13-18-22-23-20(27-18)21-19(25)16-7-8-17-15(11-16)9-10-24(17)12-14-5-3-2-4-6-14/h2-11H,12-13H2,1H3,(H,21,23,25)
InChIKeyPRPIDAIIWSRDSW-UHFFFAOYSA-N
XLogP3.94
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.46
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(1H-indol-3-yl)acetamide
CID 2117341
2-(1-methylindol-3-yl)-N-[5-[2-[2-[5-[[2-(1-methylindol-3-yl)acetyl]amino]-1,3,4-thiadiazol-2-yl]ethylsulfanyl]ethyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 89639633
N-[5-(1H-indol-3-ylmethyl)-1,3,4-thiadiazol-2-yl]-3-methylbenzamide
CID 778154
4-tert-Butyl-N-[5-(1H-indol-3-ylmethyl)-[1,3,4]thiadiazol-2-yl]-benzamide
CID 1401180
2-(1H-indol-3-yl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 2109154
N-[5-(2-{(2E)-2-[(1-benzyl-1H-indol-3-yl)methylidene]hydrazinyl}-2-oxoethyl)-1,3,4-thiadiazol-2-yl]-2-methylbenzamide
CID 6870042
3-(1H-indol-3-yl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 2555348
3-[5-(5-amino-1,3,4-thiadiazol-2-yl)-1H-indol-3-yl]-4-fluoro-N-phenylbenzamide
CID 68356796
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(1H-indol-3-yl)propanamide
CID 2116570
N-[2-[3-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanylindol-1-yl]ethyl]benzamide
CID 4070655
4-methyl-N-[2-[3-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanylindol-1-yl]ethyl]benzamide
CID 4437210
4-methyl-N-[5-[2-[2-[[1-[(4-methylphenyl)methyl]indol-3-yl]methylidene]hydrazinyl]-2-oxidanylidene-ethyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 6868097

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]indole-5-carboxamide?
The IUPAC name of 1-benzyl-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]indole-5-carboxamide (CID 39036630) is 1-benzyl-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]indole-5-carboxamide.
What is the SMILES notation for 1-benzyl-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]indole-5-carboxamide?
The canonical SMILES for 1-benzyl-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]indole-5-carboxamide is COCc1nnc(NC(=O)c2ccc3c(ccn3Cc3ccccc3)c2)s1.
What is the InChIKey of 1-benzyl-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]indole-5-carboxamide?
The InChIKey is PRPIDAIIWSRDSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2S/c1-26-13-18-22-23-20(27-18)21-19(25)16-7-8-17-15(11-16)9-10-24(17)12-14-5-3-2-4-6-14/h2-11H,12-13H2,1H3,(H,21,23,25).
What are the key properties of 1-benzyl-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]indole-5-carboxamide?
1-benzyl-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]indole-5-carboxamide has a molecular weight of 378.46 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]indole-5-carboxamide is sourced from PubChem (CID 39036630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).