2-N-methyl-2-N-(2-pyridin-4-ylethyl)-1,3,4-thiadiazole-2,5-diamine

C10H13N5S — CID 6917214

IUPAC2-N-methyl-2-N-(2-pyridin-4-ylethyl)-1,3,4-thiadiazole-2,5-diamine
SMILESCN(CCc1ccncc1)c1nnc(N)s1
InChIInChI=1S/C10H13N5S/c1-15(10-14-13-9(11)16-10)7-4-8-2-5-12-6-3-8/h2-3,5-6H,4,7H2,1H3,(H2,11,13)
InChIKeyVAVOPNLESNYFRI-UHFFFAOYSA-N
MW235.32 g/mol
LogP1.19
Rot. Bonds4

About 2-N-methyl-2-N-(2-pyridin-4-ylethyl)-1,3,4-thiadiazole-2,5-diamine

2-N-methyl-2-N-(2-pyridin-4-ylethyl)-1,3,4-thiadiazole-2,5-diamine (PubChem CID 6917214) has the molecular formula C10H13N5S and a molecular weight of 235.32 g/mol. Its IUPAC name is 2-N-methyl-2-N-(2-pyridin-4-ylethyl)-1,3,4-thiadiazole-2,5-diamine.

Molecular Properties

Compound Name2-N-methyl-2-N-(2-pyridin-4-ylethyl)-1,3,4-thiadiazole-2,5-diamine
PubChem CID6917214
Molecular FormulaC10H13N5S
Molecular Weight235.32 g/mol
Exact Mass235.09
IUPAC Name2-N-methyl-2-N-(2-pyridin-4-ylethyl)-1,3,4-thiadiazole-2,5-diamine
SMILESCN(CCc1ccncc1)c1nnc(N)s1
InChIInChI=1S/C10H13N5S/c1-15(10-14-13-9(11)16-10)7-4-8-2-5-12-6-3-8/h2-3,5-6H,4,7H2,1H3,(H2,11,13)
InChIKeyVAVOPNLESNYFRI-UHFFFAOYSA-N
XLogP1.19
TPSA67.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.32
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(1-aminoethyl)-N-methyl-N-(2-pyridin-4-ylethyl)-1,3-thiazol-2-amine
CID 62751359
2-N-methyl-2-N-(2-pyridin-4-ylethyl)-1,3,4-oxadiazole-2,5-diamine
CID 103436700
1-[2-[methyl(2-pyridin-4-ylethyl)amino]-1,3-thiazol-5-yl]ethanone
CID 62751470
2-[methyl(2-pyridin-4-ylethyl)amino]-1,3-thiazole-5-carboxylic acid
CID 62753825
6-chloro-4-N-methyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,5-diamine
CID 63023072
6-(aminomethyl)-N-methyl-N-(2-pyridin-4-ylethyl)pyridazin-3-amine
CID 62285835
4-N-methyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine
CID 80790430
5-(ethylaminomethyl)-N-methyl-N-(2-pyridin-4-ylethyl)-1,3-thiazol-2-amine
CID 62752668
[4-tert-butyl-2-[methyl(2-pyridin-4-ylethyl)amino]-1,3-thiazol-5-yl]methanol
CID 62780337
4-tert-butyl-2-[methyl(2-pyridin-4-ylethyl)amino]-1,3-thiazole-5-carbaldehyde
CID 62765594
2-[methyl(2-pyridin-4-ylethyl)amino]-1,3-thiazole-4-carboxylic acid
CID 80568996
5-chloro-2-N-methyl-2-N-(2-pyridin-4-ylethyl)pyridine-2,3-diamine
CID 80503008

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-2-N-(2-pyridin-4-ylethyl)-1,3,4-thiadiazole-2,5-diamine?
The IUPAC name of 2-N-methyl-2-N-(2-pyridin-4-ylethyl)-1,3,4-thiadiazole-2,5-diamine (CID 6917214) is 2-N-methyl-2-N-(2-pyridin-4-ylethyl)-1,3,4-thiadiazole-2,5-diamine.
What is the SMILES notation for 2-N-methyl-2-N-(2-pyridin-4-ylethyl)-1,3,4-thiadiazole-2,5-diamine?
The canonical SMILES for 2-N-methyl-2-N-(2-pyridin-4-ylethyl)-1,3,4-thiadiazole-2,5-diamine is CN(CCc1ccncc1)c1nnc(N)s1.
What is the InChIKey of 2-N-methyl-2-N-(2-pyridin-4-ylethyl)-1,3,4-thiadiazole-2,5-diamine?
The InChIKey is VAVOPNLESNYFRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5S/c1-15(10-14-13-9(11)16-10)7-4-8-2-5-12-6-3-8/h2-3,5-6H,4,7H2,1H3,(H2,11,13).
What are the key properties of 2-N-methyl-2-N-(2-pyridin-4-ylethyl)-1,3,4-thiadiazole-2,5-diamine?
2-N-methyl-2-N-(2-pyridin-4-ylethyl)-1,3,4-thiadiazole-2,5-diamine has a molecular weight of 235.32 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-2-N-(2-pyridin-4-ylethyl)-1,3,4-thiadiazole-2,5-diamine is sourced from PubChem (CID 6917214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).