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

C14H16N4OS — CID 122178513

IUPACN-ethyl-5-[(5-methoxy-1H-indol-3-yl)methyl]-1,3,4-thiadiazol-2-amine
SMILESCCNc1nnc(Cc2c[nH]c3ccc(OC)cc23)s1
InChIInChI=1S/C14H16N4OS/c1-3-15-14-18-17-13(20-14)6-9-8-16-12-5-4-10(19-2)7-11(9)12/h4-5,7-8,16H,3,6H2,1-2H3,(H,15,18)
InChIKeyDIDVMNKRIDUMKO-UHFFFAOYSA-N
MW288.38 g/mol
LogP3.05
Rot. Bonds5

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

N-ethyl-5-[(5-methoxy-1H-indol-3-yl)methyl]-1,3,4-thiadiazol-2-amine (PubChem CID 122178513) has the molecular formula C14H16N4OS and a molecular weight of 288.38 g/mol. Its IUPAC name is N-ethyl-5-[(5-methoxy-1H-indol-3-yl)methyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-ethyl-5-[(5-methoxy-1H-indol-3-yl)methyl]-1,3,4-thiadiazol-2-amine
PubChem CID122178513
Molecular FormulaC14H16N4OS
Molecular Weight288.38 g/mol
Exact Mass288.10
IUPAC NameN-ethyl-5-[(5-methoxy-1H-indol-3-yl)methyl]-1,3,4-thiadiazol-2-amine
SMILESCCNc1nnc(Cc2c[nH]c3ccc(OC)cc23)s1
InChIInChI=1S/C14H16N4OS/c1-3-15-14-18-17-13(20-14)6-9-8-16-12-5-4-10(19-2)7-11(9)12/h4-5,7-8,16H,3,6H2,1-2H3,(H,15,18)
InChIKeyDIDVMNKRIDUMKO-UHFFFAOYSA-N
XLogP3.05
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.38
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Tegaserod
CID 135409453
5-Methoxy-3-(2-(1-pyrrolidinyl)ethyl)-1H-indole
CID 17053
1-[(5-Methoxy-3-indolylidene)methylamino]-2-pentylguanidine
CID 60918
5-[3-(6-cyclopentyloxy-2-pyridinyl)-1H-indol-5-yl]-1,3,4-thiadiazol-2-amine
CID 68327881
N-[5-(1H-indol-3-ylmethyl)-1,3,4-thiadiazol-2-yl]-4-methoxybenzamide
CID 1036901
5-MeO-MPMI
CID 9881324
5-Methoxy-3-(1-methyl-pyrrolidin-3-yl)-1H-indole
CID 11053438
[[(Z)-(5-phenylmethoxyindol-3-ylidene)methyl]amino]thiourea
CID 135613375
(S)-5-Methoxy-3-(N-methylpyrrolidin-2-ylmethyl)-1H-indole
CID 10105889
3-(1H-indol-2-ylmethyl)-5-methoxy-1H-indole
CID 12989853
5-[3-(6-cyclohexyloxy-2-pyridinyl)-1H-indol-5-yl]-1,3,4-thiadiazol-2-amine
CID 68328157
5-[3-(6-ethoxy-2-pyridinyl)-1H-indol-5-yl]-1,3,4-thiadiazol-2-amine
CID 68328283

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-[(5-methoxy-1H-indol-3-yl)methyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-ethyl-5-[(5-methoxy-1H-indol-3-yl)methyl]-1,3,4-thiadiazol-2-amine (CID 122178513) is N-ethyl-5-[(5-methoxy-1H-indol-3-yl)methyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-ethyl-5-[(5-methoxy-1H-indol-3-yl)methyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-ethyl-5-[(5-methoxy-1H-indol-3-yl)methyl]-1,3,4-thiadiazol-2-amine is CCNc1nnc(Cc2c[nH]c3ccc(OC)cc23)s1.
What is the InChIKey of N-ethyl-5-[(5-methoxy-1H-indol-3-yl)methyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is DIDVMNKRIDUMKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4OS/c1-3-15-14-18-17-13(20-14)6-9-8-16-12-5-4-10(19-2)7-11(9)12/h4-5,7-8,16H,3,6H2,1-2H3,(H,15,18).
What are the key properties of N-ethyl-5-[(5-methoxy-1H-indol-3-yl)methyl]-1,3,4-thiadiazol-2-amine?
N-ethyl-5-[(5-methoxy-1H-indol-3-yl)methyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 288.38 g/mol, XLogP of 3.05, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-[(5-methoxy-1H-indol-3-yl)methyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 122178513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).