5-[5-(aminomethyl)-1H-indol-2-yl]-1,3,4-thiadiazol-2-amine

C11H11N5S — CID 137242104

IUPAC5-[5-(aminomethyl)-1H-indol-2-yl]-1,3,4-thiadiazol-2-amine
SMILESNCc1ccc2[nH]c(-c3nnc(N)s3)cc2c1
InChIInChI=1S/C11H11N5S/c12-5-6-1-2-8-7(3-6)4-9(14-8)10-15-16-11(13)17-10/h1-4,14H,5,12H2,(H2,13,16)
InChIKeyYRNUVLOBRMAMCS-UHFFFAOYSA-N
MW245.31 g/mol
LogP1.73
Rot. Bonds2

About 5-[5-(aminomethyl)-1H-indol-2-yl]-1,3,4-thiadiazol-2-amine

5-[5-(aminomethyl)-1H-indol-2-yl]-1,3,4-thiadiazol-2-amine (PubChem CID 137242104) has the molecular formula C11H11N5S and a molecular weight of 245.31 g/mol. Its IUPAC name is 5-[5-(aminomethyl)-1H-indol-2-yl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[5-(aminomethyl)-1H-indol-2-yl]-1,3,4-thiadiazol-2-amine
PubChem CID137242104
Molecular FormulaC11H11N5S
Molecular Weight245.31 g/mol
Exact Mass245.07
IUPAC Name5-[5-(aminomethyl)-1H-indol-2-yl]-1,3,4-thiadiazol-2-amine
SMILESNCc1ccc2[nH]c(-c3nnc(N)s3)cc2c1
InChIInChI=1S/C11H11N5S/c12-5-6-1-2-8-7(3-6)4-9(14-8)10-15-16-11(13)17-10/h1-4,14H,5,12H2,(H2,13,16)
InChIKeyYRNUVLOBRMAMCS-UHFFFAOYSA-N
XLogP1.73
TPSA93.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.31
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[5-(aminomethyl)-1H-indol-2-yl]-2-(trifluoromethyl)aniline
CID 25254992
[2-(1-methyl-5-phenylpyrazol-4-yl)-1H-indol-5-yl]methanamine
CID 25253893
2-[5-(aminomethyl)-1H-indol-2-yl]-5-chloro-1-benzothiophene-3-carbaldehyde
CID 25254205
5-(1H-pyrazol-5-yl)-1,3,4-thiadiazol-2-amine
CID 63080140
2-(1H-indol-2-yl)-5-methyl-1,3,4-thiadiazole
CID 3921207
[6-(aminomethyl)naphthalen-2-yl]methanamine
CID 67748708
6-(5-amino-1,3,4-thiadiazol-2-yl)-5H-thieno[3,2-c]pyridin-4-one
CID 12804311
[2-(propan-2-ylsulfanylmethyl)-1H-indol-5-yl]methanamine
CID 117176566
[3-(2-methyl-1H-indol-5-yl)phenyl]methanamine
CID 116996249
(2-phenyl-1H-indol-5-yl)methanol
CID 44577788
5,6-bis[(2-methyl-1H-indol-5-yl)methyl]pyrimidine-2,4-diamine
CID 67470585
5-(5-fluoro-1H-indol-2-yl)-1H-pyrazol-3-amine
CID 136985649

Frequently Asked Questions

What is the IUPAC name of 5-[5-(aminomethyl)-1H-indol-2-yl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[5-(aminomethyl)-1H-indol-2-yl]-1,3,4-thiadiazol-2-amine (CID 137242104) is 5-[5-(aminomethyl)-1H-indol-2-yl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[5-(aminomethyl)-1H-indol-2-yl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[5-(aminomethyl)-1H-indol-2-yl]-1,3,4-thiadiazol-2-amine is NCc1ccc2[nH]c(-c3nnc(N)s3)cc2c1.
What is the InChIKey of 5-[5-(aminomethyl)-1H-indol-2-yl]-1,3,4-thiadiazol-2-amine?
The InChIKey is YRNUVLOBRMAMCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5S/c12-5-6-1-2-8-7(3-6)4-9(14-8)10-15-16-11(13)17-10/h1-4,14H,5,12H2,(H2,13,16).
What are the key properties of 5-[5-(aminomethyl)-1H-indol-2-yl]-1,3,4-thiadiazol-2-amine?
5-[5-(aminomethyl)-1H-indol-2-yl]-1,3,4-thiadiazol-2-amine has a molecular weight of 245.31 g/mol, XLogP of 1.73, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(aminomethyl)-1H-indol-2-yl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 137242104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).