3-(1H-indol-3-yl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]propanamide

C17H20N4OS — CID 2555348

IUPAC3-(1H-indol-3-yl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]propanamide
SMILESCC(C)Cc1nnc(NC(=O)CCc2c[nH]c3ccccc23)s1
InChIInChI=1S/C17H20N4OS/c1-11(2)9-16-20-21-17(23-16)19-15(22)8-7-12-10-18-14-6-4-3-5-13(12)14/h3-6,10-11,18H,7-9H2,1-2H3,(H,19,21,22)
InChIKeyNOERJAVEWMNSAT-UHFFFAOYSA-N
MW328.44 g/mol
LogP3.79
Rot. Bonds6

About 3-(1H-indol-3-yl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]propanamide

3-(1H-indol-3-yl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]propanamide (PubChem CID 2555348) has the molecular formula C17H20N4OS and a molecular weight of 328.44 g/mol. Its IUPAC name is 3-(1H-indol-3-yl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]propanamide.

Molecular Properties

Compound Name3-(1H-indol-3-yl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]propanamide
PubChem CID2555348
Molecular FormulaC17H20N4OS
Molecular Weight328.44 g/mol
Exact Mass328.14
IUPAC Name3-(1H-indol-3-yl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]propanamide
SMILESCC(C)Cc1nnc(NC(=O)CCc2c[nH]c3ccccc23)s1
InChIInChI=1S/C17H20N4OS/c1-11(2)9-16-20-21-17(23-16)19-15(22)8-7-12-10-18-14-6-4-3-5-13(12)14/h3-6,10-11,18H,7-9H2,1-2H3,(H,19,21,22)
InChIKeyNOERJAVEWMNSAT-UHFFFAOYSA-N
XLogP3.79
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-(1H-Indol-3-ylmethyl)-1,3,4-thiadiazol-2-yl)acetamide
CID 685263
N-[5-(1H-indol-3-ylmethyl)-1,3,4-thiadiazol-2-yl]-2-methylpropanamide
CID 943136
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(1H-indol-3-yl)acetamide
CID 2117341
2-(1H-indol-3-yl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 2114820
N-(5-Cyclobutyl-thiazol-2-yl)-2-(1H-indol-3-yl)-acetamide
CID 9815202
2,2-dimethyl-3-phenyl-3-(1-pyridin-4-ylindazol-5-yl)-N-(1,3,4-thiadiazol-2-yl)propanamide
CID 59252827
2-phenyl-N-[5-[4-[5-[(2-pyridin-3-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 74982574
2-phenyl-N-[5-[4-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 74982575
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
2-(1H-indol-3-yl)-N-[5-[4-[5-[[2-(1H-indol-3-yl)acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 90165468
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

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-3-yl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]propanamide?
The IUPAC name of 3-(1H-indol-3-yl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]propanamide (CID 2555348) is 3-(1H-indol-3-yl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]propanamide.
What is the SMILES notation for 3-(1H-indol-3-yl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]propanamide?
The canonical SMILES for 3-(1H-indol-3-yl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]propanamide is CC(C)Cc1nnc(NC(=O)CCc2c[nH]c3ccccc23)s1.
What is the InChIKey of 3-(1H-indol-3-yl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]propanamide?
The InChIKey is NOERJAVEWMNSAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4OS/c1-11(2)9-16-20-21-17(23-16)19-15(22)8-7-12-10-18-14-6-4-3-5-13(12)14/h3-6,10-11,18H,7-9H2,1-2H3,(H,19,21,22).
What are the key properties of 3-(1H-indol-3-yl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]propanamide?
3-(1H-indol-3-yl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]propanamide has a molecular weight of 328.44 g/mol, XLogP of 3.79, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-3-yl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]propanamide is sourced from PubChem (CID 2555348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).