N-(1-methyl-2,3-dihydroindol-6-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine

C14H18N4S — CID 133435623

IUPACN-(1-methyl-2,3-dihydroindol-6-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
SMILESCC(C)c1nsc(Nc2ccc3c(c2)N(C)CC3)n1
InChIInChI=1S/C14H18N4S/c1-9(2)13-16-14(19-17-13)15-11-5-4-10-6-7-18(3)12(10)8-11/h4-5,8-9H,6-7H2,1-3H3,(H,15,16,17)
InChIKeyCMZKLKQUIUALDX-UHFFFAOYSA-N
MW274.39 g/mol
LogP3.40
Rot. Bonds3

About N-(1-methyl-2,3-dihydroindol-6-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine

N-(1-methyl-2,3-dihydroindol-6-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine (PubChem CID 133435623) has the molecular formula C14H18N4S and a molecular weight of 274.39 g/mol. Its IUPAC name is N-(1-methyl-2,3-dihydroindol-6-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(1-methyl-2,3-dihydroindol-6-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
PubChem CID133435623
Molecular FormulaC14H18N4S
Molecular Weight274.39 g/mol
Exact Mass274.13
IUPAC NameN-(1-methyl-2,3-dihydroindol-6-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
SMILESCC(C)c1nsc(Nc2ccc3c(c2)N(C)CC3)n1
InChIInChI=1S/C14H18N4S/c1-9(2)13-16-14(19-17-13)15-11-5-4-10-6-7-18(3)12(10)8-11/h4-5,8-9H,6-7H2,1-3H3,(H,15,16,17)
InChIKeyCMZKLKQUIUALDX-UHFFFAOYSA-N
XLogP3.40
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-methyl-2,3-dihydroindol-6-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(1-methyl-2,3-dihydroindol-6-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine (CID 133435623) is N-(1-methyl-2,3-dihydroindol-6-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(1-methyl-2,3-dihydroindol-6-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(1-methyl-2,3-dihydroindol-6-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine is CC(C)c1nsc(Nc2ccc3c(c2)N(C)CC3)n1.
What is the InChIKey of N-(1-methyl-2,3-dihydroindol-6-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine?
The InChIKey is CMZKLKQUIUALDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4S/c1-9(2)13-16-14(19-17-13)15-11-5-4-10-6-7-18(3)12(10)8-11/h4-5,8-9H,6-7H2,1-3H3,(H,15,16,17).
What are the key properties of N-(1-methyl-2,3-dihydroindol-6-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine?
N-(1-methyl-2,3-dihydroindol-6-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine has a molecular weight of 274.39 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methyl-2,3-dihydroindol-6-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 133435623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).