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

C15H23N5S — CID 65270849

IUPACN'-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-N'-(pyridin-3-ylmethyl)propane-1,3-diamine
SMILESCC(C)(C)c1nsc(N(CCCN)Cc2cccnc2)n1
InChIInChI=1S/C15H23N5S/c1-15(2,3)13-18-14(21-19-13)20(9-5-7-16)11-12-6-4-8-17-10-12/h4,6,8,10H,5,7,9,11,16H2,1-3H3
InChIKeyGRZQXRWYUCCCJW-UHFFFAOYSA-N
MW305.45 g/mol
LogP2.59
Rot. Bonds6

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

N'-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-N'-(pyridin-3-ylmethyl)propane-1,3-diamine (PubChem CID 65270849) has the molecular formula C15H23N5S and a molecular weight of 305.45 g/mol. Its IUPAC name is N'-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-N'-(pyridin-3-ylmethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-N'-(pyridin-3-ylmethyl)propane-1,3-diamine
PubChem CID65270849
Molecular FormulaC15H23N5S
Molecular Weight305.45 g/mol
Exact Mass305.17
IUPAC NameN'-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-N'-(pyridin-3-ylmethyl)propane-1,3-diamine
SMILESCC(C)(C)c1nsc(N(CCCN)Cc2cccnc2)n1
InChIInChI=1S/C15H23N5S/c1-15(2,3)13-18-14(21-19-13)20(9-5-7-16)11-12-6-4-8-17-10-12/h4,6,8,10H,5,7,9,11,16H2,1-3H3
InChIKeyGRZQXRWYUCCCJW-UHFFFAOYSA-N
XLogP2.59
TPSA67.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.45
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N'-(3-ethyl-1,2,4-thiadiazol-5-yl)-N'-(pyridin-3-ylmethyl)propane-1,3-diamine
CID 65270798
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-[(3-aminophenyl)methyl]-3-tert-butyl-N-ethyl-1,2,4-thiadiazol-5-amine
CID 65276181
N'-methyl-N'-(pyridin-3-ylmethyl)butane-1,4-diamine
CID 43563175
N'-(6-propan-2-ylpyrimidin-4-yl)-N'-(pyridin-3-ylmethyl)propane-1,3-diamine
CID 61240350
1-(3-aminopropyl)-3,3-diethyl-1-(pyridin-3-ylmethyl)urea
CID 79153559
N'-(4-methoxyphenyl)-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 28771920
N'-(3,5-dimethylphenyl)-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 28772199
4-[3-aminopropyl(pyridin-3-ylmethyl)amino]-5-chloro-1H-pyrimidin-6-one
CID 136972455
2-methyl-1-pyridin-3-ylpropan-2-amine;dihydrochloride
CID 131637820
N'-ethyl-N'-(2-pyridin-3-ylethyl)propane-1,3-diamine
CID 63264719

Frequently Asked Questions

What is the IUPAC name of N'-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-N'-(pyridin-3-ylmethyl)propane-1,3-diamine?
The IUPAC name of N'-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-N'-(pyridin-3-ylmethyl)propane-1,3-diamine (CID 65270849) is N'-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-N'-(pyridin-3-ylmethyl)propane-1,3-diamine.
What is the SMILES notation for N'-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-N'-(pyridin-3-ylmethyl)propane-1,3-diamine?
The canonical SMILES for N'-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-N'-(pyridin-3-ylmethyl)propane-1,3-diamine is CC(C)(C)c1nsc(N(CCCN)Cc2cccnc2)n1.
What is the InChIKey of N'-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-N'-(pyridin-3-ylmethyl)propane-1,3-diamine?
The InChIKey is GRZQXRWYUCCCJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5S/c1-15(2,3)13-18-14(21-19-13)20(9-5-7-16)11-12-6-4-8-17-10-12/h4,6,8,10H,5,7,9,11,16H2,1-3H3.
What are the key properties of N'-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-N'-(pyridin-3-ylmethyl)propane-1,3-diamine?
N'-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-N'-(pyridin-3-ylmethyl)propane-1,3-diamine has a molecular weight of 305.45 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-N'-(pyridin-3-ylmethyl)propane-1,3-diamine is sourced from PubChem (CID 65270849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).