N'-(3-ethyl-1,2,4-thiadiazol-5-yl)-N'-(pyridin-3-ylmethyl)propane-1,3-diamine

C13H19N5S — CID 65270798

IUPACN'-(3-ethyl-1,2,4-thiadiazol-5-yl)-N'-(pyridin-3-ylmethyl)propane-1,3-diamine
SMILESCCc1nsc(N(CCCN)Cc2cccnc2)n1
InChIInChI=1S/C13H19N5S/c1-2-12-16-13(19-17-12)18(8-4-6-14)10-11-5-3-7-15-9-11/h3,5,7,9H,2,4,6,8,10,14H2,1H3
InChIKeyTVWQRUJVUDPFBG-UHFFFAOYSA-N
MW277.40 g/mol
LogP1.85
Rot. Bonds7

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

N'-(3-ethyl-1,2,4-thiadiazol-5-yl)-N'-(pyridin-3-ylmethyl)propane-1,3-diamine (PubChem CID 65270798) has the molecular formula C13H19N5S and a molecular weight of 277.40 g/mol. Its IUPAC name is N'-(3-ethyl-1,2,4-thiadiazol-5-yl)-N'-(pyridin-3-ylmethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-(3-ethyl-1,2,4-thiadiazol-5-yl)-N'-(pyridin-3-ylmethyl)propane-1,3-diamine
PubChem CID65270798
Molecular FormulaC13H19N5S
Molecular Weight277.40 g/mol
Exact Mass277.14
IUPAC NameN'-(3-ethyl-1,2,4-thiadiazol-5-yl)-N'-(pyridin-3-ylmethyl)propane-1,3-diamine
SMILESCCc1nsc(N(CCCN)Cc2cccnc2)n1
InChIInChI=1S/C13H19N5S/c1-2-12-16-13(19-17-12)18(8-4-6-14)10-11-5-3-7-15-9-11/h3,5,7,9H,2,4,6,8,10,14H2,1H3
InChIKeyTVWQRUJVUDPFBG-UHFFFAOYSA-N
XLogP1.85
TPSA67.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.40
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N'-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-N'-(pyridin-3-ylmethyl)propane-1,3-diamine
CID 65270849
3-[(3-methyl-1,2,4-thiadiazol-5-yl)-(pyridin-3-ylmethyl)amino]propanethioamide
CID 65268022
N-(2-methoxyethyl)-3-methyl-N-(pyridin-3-ylmethyl)-1,2,4-thiadiazol-5-amine
CID 133430451
N'-methyl-N'-(pyridin-3-ylmethyl)butane-1,4-diamine
CID 43563175
1-(3-aminopropyl)-3,3-diethyl-1-(pyridin-3-ylmethyl)urea
CID 79153559
N'-benzyl-N'-(4-ethyl-1,3-thiazol-2-yl)propane-1,3-diamine
CID 107368586
N'-(6-propan-2-ylpyrimidin-4-yl)-N'-(pyridin-3-ylmethyl)propane-1,3-diamine
CID 61240350
N'-(3-ethyl-1,2,4-thiadiazol-5-yl)-N'-methylpentane-1,5-diamine
CID 107207074
N'-ethyl-N'-(2-pyridin-3-ylethyl)propane-1,3-diamine
CID 63264719
N-benzyl-N-(2,2-difluoroethyl)-3-ethyl-1,2,4-thiadiazol-5-amine
CID 133429377
N'-propyl-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 61348602
2-[benzyl-(3-benzyl-1,2,4-thiadiazol-5-yl)amino]-N-(pyridin-3-ylmethyl)acetamide
CID 3276875

Frequently Asked Questions

What is the IUPAC name of N'-(3-ethyl-1,2,4-thiadiazol-5-yl)-N'-(pyridin-3-ylmethyl)propane-1,3-diamine?
The IUPAC name of N'-(3-ethyl-1,2,4-thiadiazol-5-yl)-N'-(pyridin-3-ylmethyl)propane-1,3-diamine (CID 65270798) is N'-(3-ethyl-1,2,4-thiadiazol-5-yl)-N'-(pyridin-3-ylmethyl)propane-1,3-diamine.
What is the SMILES notation for N'-(3-ethyl-1,2,4-thiadiazol-5-yl)-N'-(pyridin-3-ylmethyl)propane-1,3-diamine?
The canonical SMILES for N'-(3-ethyl-1,2,4-thiadiazol-5-yl)-N'-(pyridin-3-ylmethyl)propane-1,3-diamine is CCc1nsc(N(CCCN)Cc2cccnc2)n1.
What is the InChIKey of N'-(3-ethyl-1,2,4-thiadiazol-5-yl)-N'-(pyridin-3-ylmethyl)propane-1,3-diamine?
The InChIKey is TVWQRUJVUDPFBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5S/c1-2-12-16-13(19-17-12)18(8-4-6-14)10-11-5-3-7-15-9-11/h3,5,7,9H,2,4,6,8,10,14H2,1H3.
What are the key properties of N'-(3-ethyl-1,2,4-thiadiazol-5-yl)-N'-(pyridin-3-ylmethyl)propane-1,3-diamine?
N'-(3-ethyl-1,2,4-thiadiazol-5-yl)-N'-(pyridin-3-ylmethyl)propane-1,3-diamine has a molecular weight of 277.40 g/mol, XLogP of 1.85, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-ethyl-1,2,4-thiadiazol-5-yl)-N'-(pyridin-3-ylmethyl)propane-1,3-diamine is sourced from PubChem (CID 65270798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).