N-[(6-chloro-1H-indol-3-yl)methyl]-5-ethyl-1,3,4-thiadiazol-2-amine

C13H13ClN4S — CID 107647861

IUPACN-[(6-chloro-1H-indol-3-yl)methyl]-5-ethyl-1,3,4-thiadiazol-2-amine
SMILESCCc1nnc(NCc2c[nH]c3cc(Cl)ccc23)s1
InChIInChI=1S/C13H13ClN4S/c1-2-12-17-18-13(19-12)16-7-8-6-15-11-5-9(14)3-4-10(8)11/h3-6,15H,2,7H2,1H3,(H,16,18)
InChIKeyICYMSXUQSQWBLO-UHFFFAOYSA-N
MW292.80 g/mol
LogP3.85
Rot. Bonds4

About N-[(6-chloro-1H-indol-3-yl)methyl]-5-ethyl-1,3,4-thiadiazol-2-amine

N-[(6-chloro-1H-indol-3-yl)methyl]-5-ethyl-1,3,4-thiadiazol-2-amine (PubChem CID 107647861) has the molecular formula C13H13ClN4S and a molecular weight of 292.80 g/mol. Its IUPAC name is N-[(6-chloro-1H-indol-3-yl)methyl]-5-ethyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-[(6-chloro-1H-indol-3-yl)methyl]-5-ethyl-1,3,4-thiadiazol-2-amine
PubChem CID107647861
Molecular FormulaC13H13ClN4S
Molecular Weight292.80 g/mol
Exact Mass292.05
IUPAC NameN-[(6-chloro-1H-indol-3-yl)methyl]-5-ethyl-1,3,4-thiadiazol-2-amine
SMILESCCc1nnc(NCc2c[nH]c3cc(Cl)ccc23)s1
InChIInChI=1S/C13H13ClN4S/c1-2-12-17-18-13(19-12)16-7-8-6-15-11-5-9(14)3-4-10(8)11/h3-6,15H,2,7H2,1H3,(H,16,18)
InChIKeyICYMSXUQSQWBLO-UHFFFAOYSA-N
XLogP3.85
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.80
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dichloro-N-[(6-chloro-1H-indol-3-yl)methyl]-4-fluoroaniline
CID 107572650
3-(bromomethyl)-6-chloro-1H-indole
CID 131288743
2-chloro-4-[[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]methyl]phenol
CID 107647925
N-[(6-chloro-1H-indol-3-yl)methyl]-2-ethoxy-2-methylpropan-1-amine
CID 114940997
N-[(5-chlorothiophen-2-yl)methyl]-5-ethyl-1,3,4-thiadiazol-2-amine
CID 115924701
N-[(6-chloro-1H-indol-3-yl)methyl]-2-methoxypropan-1-amine
CID 102695801
N-[(6-chloro-1H-indol-3-yl)methyl]-2-ethylcyclopropan-1-amine
CID 114107722
6-chloro-3-(ethoxymethyl)-1H-indole
CID 117178595
N-[(6-chloro-1H-indol-3-yl)methyl]-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine
CID 78968443
5-ethyl-N-[(4-fluoro-2-methylphenyl)methyl]-1,3,4-thiadiazol-2-amine
CID 103934002
5-ethyl-N-[(4-fluoro-3-methylphenyl)methyl]-1,3,4-thiadiazol-2-amine
CID 103865662
2-[[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]methyl]-4-methoxyphenol
CID 107647752

Frequently Asked Questions

What is the IUPAC name of N-[(6-chloro-1H-indol-3-yl)methyl]-5-ethyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-[(6-chloro-1H-indol-3-yl)methyl]-5-ethyl-1,3,4-thiadiazol-2-amine (CID 107647861) is N-[(6-chloro-1H-indol-3-yl)methyl]-5-ethyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-[(6-chloro-1H-indol-3-yl)methyl]-5-ethyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-[(6-chloro-1H-indol-3-yl)methyl]-5-ethyl-1,3,4-thiadiazol-2-amine is CCc1nnc(NCc2c[nH]c3cc(Cl)ccc23)s1.
What is the InChIKey of N-[(6-chloro-1H-indol-3-yl)methyl]-5-ethyl-1,3,4-thiadiazol-2-amine?
The InChIKey is ICYMSXUQSQWBLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN4S/c1-2-12-17-18-13(19-12)16-7-8-6-15-11-5-9(14)3-4-10(8)11/h3-6,15H,2,7H2,1H3,(H,16,18).
What are the key properties of N-[(6-chloro-1H-indol-3-yl)methyl]-5-ethyl-1,3,4-thiadiazol-2-amine?
N-[(6-chloro-1H-indol-3-yl)methyl]-5-ethyl-1,3,4-thiadiazol-2-amine has a molecular weight of 292.80 g/mol, XLogP of 3.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-chloro-1H-indol-3-yl)methyl]-5-ethyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 107647861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).