5-N-ethyl-4-methyl-5-N-(pyridin-2-ylmethyl)-1,2-thiazole-3,5-diamine

C12H16N4S — CID 103364459

IUPAC5-N-ethyl-4-methyl-5-N-(pyridin-2-ylmethyl)-1,2-thiazole-3,5-diamine
SMILESCCN(Cc1ccccn1)c1snc(N)c1C
InChIInChI=1S/C12H16N4S/c1-3-16(8-10-6-4-5-7-14-10)12-9(2)11(13)15-17-12/h4-7H,3,8H2,1-2H3,(H2,13,15)
InChIKeyRLNGICAENOVZSU-UHFFFAOYSA-N
MW248.36 g/mol
LogP2.46
Rot. Bonds4

About 5-N-ethyl-4-methyl-5-N-(pyridin-2-ylmethyl)-1,2-thiazole-3,5-diamine

5-N-ethyl-4-methyl-5-N-(pyridin-2-ylmethyl)-1,2-thiazole-3,5-diamine (PubChem CID 103364459) has the molecular formula C12H16N4S and a molecular weight of 248.36 g/mol. Its IUPAC name is 5-N-ethyl-4-methyl-5-N-(pyridin-2-ylmethyl)-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-ethyl-4-methyl-5-N-(pyridin-2-ylmethyl)-1,2-thiazole-3,5-diamine
PubChem CID103364459
Molecular FormulaC12H16N4S
Molecular Weight248.36 g/mol
Exact Mass248.11
IUPAC Name5-N-ethyl-4-methyl-5-N-(pyridin-2-ylmethyl)-1,2-thiazole-3,5-diamine
SMILESCCN(Cc1ccccn1)c1snc(N)c1C
InChIInChI=1S/C12H16N4S/c1-3-16(8-10-6-4-5-7-14-10)12-9(2)11(13)15-17-12/h4-7H,3,8H2,1-2H3,(H2,13,15)
InChIKeyRLNGICAENOVZSU-UHFFFAOYSA-N
XLogP2.46
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.36
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-5-[ethyl(pyridin-2-ylmethyl)amino]-N-methyl-1,2-thiazole-4-carboxamide
CID 103383364
4-N-ethyl-2,5-dimethyl-4-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine
CID 80851701
ethyl 3-amino-5-[methyl(pyridin-2-ylmethyl)amino]-1,2-thiazole-4-carboxylate
CID 103379481
N-ethyl-4,6-dimethyl-N-(pyridin-2-ylmethyl)pyrimidin-2-amine
CID 133404102
3-amino-5-[ethyl(pyridin-2-ylmethyl)amino]-4-methylsulfanylthiophene-2-carbonitrile
CID 103505484
1-N-ethyl-4-fluoro-5-methyl-1-N-(pyridin-2-ylmethyl)benzene-1,2-diamine
CID 103590580
3-amino-4-cyano-5-[ethyl(pyridin-2-ylmethyl)amino]thiophene-2-carboxamide
CID 103505469
3-amino-5-[ethyl(pyridin-2-ylmethyl)amino]thiophene-2-carbonitrile
CID 103505486
N-methyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine;hydrochloride
CID 174963433
4-N-ethyl-2-propan-2-yl-4-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine
CID 80965607
6-chloro-N-ethyl-5-methyl-2-propyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 80969977
2-[ethyl(pyridin-2-ylmethyl)amino]-1,3-thiazole-4-carboxylic acid
CID 80569601

Frequently Asked Questions

What is the IUPAC name of 5-N-ethyl-4-methyl-5-N-(pyridin-2-ylmethyl)-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-ethyl-4-methyl-5-N-(pyridin-2-ylmethyl)-1,2-thiazole-3,5-diamine (CID 103364459) is 5-N-ethyl-4-methyl-5-N-(pyridin-2-ylmethyl)-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-ethyl-4-methyl-5-N-(pyridin-2-ylmethyl)-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-ethyl-4-methyl-5-N-(pyridin-2-ylmethyl)-1,2-thiazole-3,5-diamine is CCN(Cc1ccccn1)c1snc(N)c1C.
What is the InChIKey of 5-N-ethyl-4-methyl-5-N-(pyridin-2-ylmethyl)-1,2-thiazole-3,5-diamine?
The InChIKey is RLNGICAENOVZSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4S/c1-3-16(8-10-6-4-5-7-14-10)12-9(2)11(13)15-17-12/h4-7H,3,8H2,1-2H3,(H2,13,15).
What are the key properties of 5-N-ethyl-4-methyl-5-N-(pyridin-2-ylmethyl)-1,2-thiazole-3,5-diamine?
5-N-ethyl-4-methyl-5-N-(pyridin-2-ylmethyl)-1,2-thiazole-3,5-diamine has a molecular weight of 248.36 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-ethyl-4-methyl-5-N-(pyridin-2-ylmethyl)-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103364459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).