N'-(3-methoxyphenyl)-N'-(1,2,4-thiadiazol-5-yl)propane-1,3-diamine

C12H16N4OS — CID 65270073

IUPACN'-(3-methoxyphenyl)-N'-(1,2,4-thiadiazol-5-yl)propane-1,3-diamine
SMILESCOc1cccc(N(CCCN)c2ncns2)c1
InChIInChI=1S/C12H16N4OS/c1-17-11-5-2-4-10(8-11)16(7-3-6-13)12-14-9-15-18-12/h2,4-5,8-9H,3,6-7,13H2,1H3
InChIKeyAWFUVFHKOGZZNW-UHFFFAOYSA-N
MW264.35 g/mol
LogP2.03
Rot. Bonds6

About N'-(3-methoxyphenyl)-N'-(1,2,4-thiadiazol-5-yl)propane-1,3-diamine

N'-(3-methoxyphenyl)-N'-(1,2,4-thiadiazol-5-yl)propane-1,3-diamine (PubChem CID 65270073) has the molecular formula C12H16N4OS and a molecular weight of 264.35 g/mol. Its IUPAC name is N'-(3-methoxyphenyl)-N'-(1,2,4-thiadiazol-5-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-(3-methoxyphenyl)-N'-(1,2,4-thiadiazol-5-yl)propane-1,3-diamine
PubChem CID65270073
Molecular FormulaC12H16N4OS
Molecular Weight264.35 g/mol
Exact Mass264.10
IUPAC NameN'-(3-methoxyphenyl)-N'-(1,2,4-thiadiazol-5-yl)propane-1,3-diamine
SMILESCOc1cccc(N(CCCN)c2ncns2)c1
InChIInChI=1S/C12H16N4OS/c1-17-11-5-2-4-10(8-11)16(7-3-6-13)12-14-9-15-18-12/h2,4-5,8-9H,3,6-7,13H2,1H3
InChIKeyAWFUVFHKOGZZNW-UHFFFAOYSA-N
XLogP2.03
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N'-(3-methoxyphenyl)-N'-pyrimidin-4-ylpropane-1,3-diamine
CID 61251850
N'-(3-methoxyphenyl)-N'-pyridin-4-ylpropane-1,3-diamine
CID 43319003
N'-(5-fluoropyrimidin-2-yl)-N'-(3-methoxyphenyl)propane-1,3-diamine
CID 104606037
N'-(3-methoxyphenyl)-N'-(6-methyl-2-pyridinyl)propane-1,3-diamine
CID 60877179
6-[N-(3-aminopropyl)-3-methoxyanilino]-2H-1,2,4-triazine-3,5-dione
CID 60871405
N'-(3-methoxyphenyl)-N'-propan-2-ylpropane-1,3-diamine
CID 43136389
5-amino-4-[N-(3-aminopropyl)-3-methoxyanilino]-1H-pyrimidin-6-one
CID 136972523
methyl N-(3-aminopropyl)-N-(3-methoxyphenyl)carbamate
CID 43136235
N'-(3-methoxyphenyl)-N'-(3,3,3-trifluoropropyl)propane-1,3-diamine
CID 64552499
N'-(5-methoxy-2-pyridinyl)-N'-phenylpropane-1,3-diamine
CID 106503634
N'-(3-methoxyphenyl)-N'-[(6-methyl-2-pyridinyl)methyl]propane-1,3-diamine
CID 79262673
N'-cyclohexyl-N'-(3-methoxyphenyl)propane-1,3-diamine
CID 43319153

Frequently Asked Questions

What is the IUPAC name of N'-(3-methoxyphenyl)-N'-(1,2,4-thiadiazol-5-yl)propane-1,3-diamine?
The IUPAC name of N'-(3-methoxyphenyl)-N'-(1,2,4-thiadiazol-5-yl)propane-1,3-diamine (CID 65270073) is N'-(3-methoxyphenyl)-N'-(1,2,4-thiadiazol-5-yl)propane-1,3-diamine.
What is the SMILES notation for N'-(3-methoxyphenyl)-N'-(1,2,4-thiadiazol-5-yl)propane-1,3-diamine?
The canonical SMILES for N'-(3-methoxyphenyl)-N'-(1,2,4-thiadiazol-5-yl)propane-1,3-diamine is COc1cccc(N(CCCN)c2ncns2)c1.
What is the InChIKey of N'-(3-methoxyphenyl)-N'-(1,2,4-thiadiazol-5-yl)propane-1,3-diamine?
The InChIKey is AWFUVFHKOGZZNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4OS/c1-17-11-5-2-4-10(8-11)16(7-3-6-13)12-14-9-15-18-12/h2,4-5,8-9H,3,6-7,13H2,1H3.
What are the key properties of N'-(3-methoxyphenyl)-N'-(1,2,4-thiadiazol-5-yl)propane-1,3-diamine?
N'-(3-methoxyphenyl)-N'-(1,2,4-thiadiazol-5-yl)propane-1,3-diamine has a molecular weight of 264.35 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-methoxyphenyl)-N'-(1,2,4-thiadiazol-5-yl)propane-1,3-diamine is sourced from PubChem (CID 65270073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).