5-[3-[6-(propan-2-ylamino)pyrazin-2-yl]-1H-indol-5-yl]-1,3,4-thiadiazol-2-amine

C17H17N7S — CID 90256619

IUPAC5-[3-[6-(propan-2-ylamino)pyrazin-2-yl]-1H-indol-5-yl]-1,3,4-thiadiazol-2-amine
SMILESCC(C)Nc1cncc(-c2c[nH]c3ccc(-c4nnc(N)s4)cc23)n1
InChIInChI=1S/C17H17N7S/c1-9(2)21-15-8-19-7-14(22-15)12-6-20-13-4-3-10(5-11(12)13)16-23-24-17(18)25-16/h3-9,20H,1-2H3,(H2,18,24)(H,21,22)
InChIKeySXGXDOZGWJTWBA-UHFFFAOYSA-N
MW351.44 g/mol
LogP3.55
Rot. Bonds4

About 5-[3-[6-(propan-2-ylamino)pyrazin-2-yl]-1H-indol-5-yl]-1,3,4-thiadiazol-2-amine

5-[3-[6-(propan-2-ylamino)pyrazin-2-yl]-1H-indol-5-yl]-1,3,4-thiadiazol-2-amine (PubChem CID 90256619) has the molecular formula C17H17N7S and a molecular weight of 351.44 g/mol. Its IUPAC name is 5-[3-[6-(propan-2-ylamino)pyrazin-2-yl]-1H-indol-5-yl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[3-[6-(propan-2-ylamino)pyrazin-2-yl]-1H-indol-5-yl]-1,3,4-thiadiazol-2-amine
PubChem CID90256619
Molecular FormulaC17H17N7S
Molecular Weight351.44 g/mol
Exact Mass351.13
IUPAC Name5-[3-[6-(propan-2-ylamino)pyrazin-2-yl]-1H-indol-5-yl]-1,3,4-thiadiazol-2-amine
SMILESCC(C)Nc1cncc(-c2c[nH]c3ccc(-c4nnc(N)s4)cc23)n1
InChIInChI=1S/C17H17N7S/c1-9(2)21-15-8-19-7-14(22-15)12-6-20-13-4-3-10(5-11(12)13)16-23-24-17(18)25-16/h3-9,20H,1-2H3,(H2,18,24)(H,21,22)
InChIKeySXGXDOZGWJTWBA-UHFFFAOYSA-N
XLogP3.55
TPSA105.40 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.44
LogP ≤ 53.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 5-[3-[6-(propan-2-ylamino)pyrazin-2-yl]-1H-indol-5-yl]-1,3,4-thiadiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[5-(5-Amino-1,3,4-Thiadiazol-2-Yl)-1h-Indol-3-Yl]-N-Cyclopentylpyridin-2-Amine
CID 68328588
5-[3-[6-(cyclohexylamino)pyrazin-2-yl]-1H-indol-5-yl]-1,3,4-thiadiazol-2-amine
CID 68356855
5-[3-(6-morpholin-4-ylpyrazin-2-yl)-1H-indol-5-yl]-1,3,4-thiadiazol-2-amine
CID 68356857
3-(1H-Indazol-5-yl)-N-propylimidazo(1,2-b)pyridazin-6-amine
CID 70679308
5-[3-[6-(cyclopentylamino)pyrazin-2-yl]-1H-indol-5-yl]-1,3,4-thiadiazol-2-amine
CID 68328307
5-(5-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)pyrazin-2-yl)-1H-indole
CID 46890772
5-(6-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)pyridin-3-yl)-1H-indole
CID 46890955
5-(6-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)pyridazin-3-yl)-1H-indole
CID 46891530
8-methyl-N-(2-(pyrrolidin-1-yl)ethyl)-5H-pyrimido[5,4-b]indol-4-amine
CID 917197
N-[(1-ethylpyrrolidin-2-yl)methyl]-8-methyl-5H-pyrimido[5,4-b]indol-4-amine
CID 5150023
N',N'-diethyl-N-(9H-pyrido[3,4-b]indol-1-yl)propane-1,3-diamine
CID 44395823
N',N'-dimethyl-N-(9H-pyrido[3,4-b]indol-1-yl)propane-1,3-diamine
CID 44395853

Frequently Asked Questions

What is the IUPAC name of 5-[3-[6-(propan-2-ylamino)pyrazin-2-yl]-1H-indol-5-yl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[3-[6-(propan-2-ylamino)pyrazin-2-yl]-1H-indol-5-yl]-1,3,4-thiadiazol-2-amine (CID 90256619) is 5-[3-[6-(propan-2-ylamino)pyrazin-2-yl]-1H-indol-5-yl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[3-[6-(propan-2-ylamino)pyrazin-2-yl]-1H-indol-5-yl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[3-[6-(propan-2-ylamino)pyrazin-2-yl]-1H-indol-5-yl]-1,3,4-thiadiazol-2-amine is CC(C)Nc1cncc(-c2c[nH]c3ccc(-c4nnc(N)s4)cc23)n1.
What is the InChIKey of 5-[3-[6-(propan-2-ylamino)pyrazin-2-yl]-1H-indol-5-yl]-1,3,4-thiadiazol-2-amine?
The InChIKey is SXGXDOZGWJTWBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N7S/c1-9(2)21-15-8-19-7-14(22-15)12-6-20-13-4-3-10(5-11(12)13)16-23-24-17(18)25-16/h3-9,20H,1-2H3,(H2,18,24)(H,21,22).
What are the key properties of 5-[3-[6-(propan-2-ylamino)pyrazin-2-yl]-1H-indol-5-yl]-1,3,4-thiadiazol-2-amine?
5-[3-[6-(propan-2-ylamino)pyrazin-2-yl]-1H-indol-5-yl]-1,3,4-thiadiazol-2-amine has a molecular weight of 351.44 g/mol, XLogP of 3.55, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[6-(propan-2-ylamino)pyrazin-2-yl]-1H-indol-5-yl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 90256619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).