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

C20H18N4O2S — CID 45494520

IUPAC1-benzyl-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]indole-2-carboxamide
SMILESCOCc1nnc(NC(=O)c2cc3ccccc3n2Cc2ccccc2)s1
InChIInChI=1S/C20H18N4O2S/c1-26-13-18-22-23-20(27-18)21-19(25)17-11-15-9-5-6-10-16(15)24(17)12-14-7-3-2-4-8-14/h2-11H,12-13H2,1H3,(H,21,23,25)
InChIKeyVJHDDFPTWUBCQV-UHFFFAOYSA-N
MW378.46 g/mol
LogP3.94
Rot. Bonds6

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

1-benzyl-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]indole-2-carboxamide (PubChem CID 45494520) 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-2-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]indole-2-carboxamide
PubChem CID45494520
Molecular FormulaC20H18N4O2S
Molecular Weight378.46 g/mol
Exact Mass378.12
IUPAC Name1-benzyl-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]indole-2-carboxamide
SMILESCOCc1nnc(NC(=O)c2cc3ccccc3n2Cc2ccccc2)s1
InChIInChI=1S/C20H18N4O2S/c1-26-13-18-22-23-20(27-18)21-19(25)17-11-15-9-5-6-10-16(15)24(17)12-14-7-3-2-4-8-14/h2-11H,12-13H2,1H3,(H,21,23,25)
InChIKeyVJHDDFPTWUBCQV-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

1-benzyl-N-(6-methyl-2-pyridinyl)indole-2-carboxamide
CID 11056970
N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-4-phenylbutanamide
CID 847079
1-ethyl-N-(1,3-thiazol-2-yl)indole-2-carboxamide
CID 47335050
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-(methoxymethyl)benzamide
CID 18189580
1-benzyl-N-[(1R)-1-phenylethyl]indole-2-carboxamide
CID 7313084
1-benzyl-N-(1-hydroxypropan-2-yl)indole-2-carboxamide
CID 78888011
N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-4,6-dimethylpyridine-2-carboxamide
CID 19224449
4-benzyl-N-(1,3-thiazol-2-yl)thieno[3,2-b]pyrrole-5-carboxamide
CID 3225162
S-[4-[(1-benzylindole-2-carbonyl)amino]phenyl] N,N-dimethylcarbamothioate
CID 56544298
4-benzyl-N-(4-methoxyphenyl)thieno[3,2-b]pyrrole-5-carboxamide
CID 1455010
N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-propylsulfonylbenzamide
CID 17224943
1-benzyl-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)indole-2-carboxamide
CID 55827646

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]indole-2-carboxamide?
The IUPAC name of 1-benzyl-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]indole-2-carboxamide (CID 45494520) is 1-benzyl-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]indole-2-carboxamide.
What is the SMILES notation for 1-benzyl-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]indole-2-carboxamide?
The canonical SMILES for 1-benzyl-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]indole-2-carboxamide is COCc1nnc(NC(=O)c2cc3ccccc3n2Cc2ccccc2)s1.
What is the InChIKey of 1-benzyl-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]indole-2-carboxamide?
The InChIKey is VJHDDFPTWUBCQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2S/c1-26-13-18-22-23-20(27-18)21-19(25)17-11-15-9-5-6-10-16(15)24(17)12-14-7-3-2-4-8-14/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-2-carboxamide?
1-benzyl-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]indole-2-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-2-carboxamide is sourced from PubChem (CID 45494520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).