6-ethoxy-2-N-methyl-2-N-(1,3-thiazol-4-ylmethyl)pyridine-2,5-diamine

C12H16N4OS — CID 55013621

IUPAC6-ethoxy-2-N-methyl-2-N-(1,3-thiazol-4-ylmethyl)pyridine-2,5-diamine
SMILESCCOc1nc(N(C)Cc2cscn2)ccc1N
InChIInChI=1S/C12H16N4OS/c1-3-17-12-10(13)4-5-11(15-12)16(2)6-9-7-18-8-14-9/h4-5,7-8H,3,6,13H2,1-2H3
InChIKeyBBFWDRSQCQCLNQ-UHFFFAOYSA-N
MW264.35 g/mol
LogP2.16
Rot. Bonds5

About 6-ethoxy-2-N-methyl-2-N-(1,3-thiazol-4-ylmethyl)pyridine-2,5-diamine

6-ethoxy-2-N-methyl-2-N-(1,3-thiazol-4-ylmethyl)pyridine-2,5-diamine (PubChem CID 55013621) has the molecular formula C12H16N4OS and a molecular weight of 264.35 g/mol. Its IUPAC name is 6-ethoxy-2-N-methyl-2-N-(1,3-thiazol-4-ylmethyl)pyridine-2,5-diamine.

Molecular Properties

Compound Name6-ethoxy-2-N-methyl-2-N-(1,3-thiazol-4-ylmethyl)pyridine-2,5-diamine
PubChem CID55013621
Molecular FormulaC12H16N4OS
Molecular Weight264.35 g/mol
Exact Mass264.10
IUPAC Name6-ethoxy-2-N-methyl-2-N-(1,3-thiazol-4-ylmethyl)pyridine-2,5-diamine
SMILESCCOc1nc(N(C)Cc2cscn2)ccc1N
InChIInChI=1S/C12H16N4OS/c1-3-17-12-10(13)4-5-11(15-12)16(2)6-9-7-18-8-14-9/h4-5,7-8H,3,6,13H2,1-2H3
InChIKeyBBFWDRSQCQCLNQ-UHFFFAOYSA-N
XLogP2.16
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-N-methyl-6-N-(1,3-thiazol-4-ylmethyl)pyridine-2,3,6-triamine
CID 79825816
6-ethoxy-2-N-methyl-2-N-(pyridin-2-ylmethyl)pyridine-2,5-diamine
CID 43564952
2-N-methyl-2-N-(1,3-thiazol-4-ylmethyl)pyrazine-2,5-diamine
CID 80653268
4-N-methyl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-4,6-diamine
CID 78929995
2-N,5-dimethyl-2-N-(1,3-thiazol-4-ylmethyl)pyridine-2,4-diamine
CID 83266327
4-N-methyl-4-N-(1,3-thiazol-4-ylmethyl)-2,1,3-benzoxadiazole-4,7-diamine
CID 55013899
2-N-benzyl-2-N-methyl-6-propoxypyridine-2,5-diamine
CID 43260749
6-ethoxy-2-N-methyl-2-N-(2-pyridin-4-ylethyl)pyridine-2,5-diamine
CID 60913529
2-N-(cyclohexylmethyl)-6-ethoxy-2-N-methylpyridine-2,5-diamine
CID 63402666
2-N-ethyl-6-methoxy-2-N-methylpyridine-2,5-diamine
CID 43263118
2-N-[2-(dimethylamino)ethyl]-2-N-methyl-6-propoxypyridine-2,5-diamine
CID 63694450
5-amino-6-[methyl(1,3-thiazol-4-ylmethyl)amino]pyridine-2-carboxylic acid
CID 114406127

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-2-N-methyl-2-N-(1,3-thiazol-4-ylmethyl)pyridine-2,5-diamine?
The IUPAC name of 6-ethoxy-2-N-methyl-2-N-(1,3-thiazol-4-ylmethyl)pyridine-2,5-diamine (CID 55013621) is 6-ethoxy-2-N-methyl-2-N-(1,3-thiazol-4-ylmethyl)pyridine-2,5-diamine.
What is the SMILES notation for 6-ethoxy-2-N-methyl-2-N-(1,3-thiazol-4-ylmethyl)pyridine-2,5-diamine?
The canonical SMILES for 6-ethoxy-2-N-methyl-2-N-(1,3-thiazol-4-ylmethyl)pyridine-2,5-diamine is CCOc1nc(N(C)Cc2cscn2)ccc1N.
What is the InChIKey of 6-ethoxy-2-N-methyl-2-N-(1,3-thiazol-4-ylmethyl)pyridine-2,5-diamine?
The InChIKey is BBFWDRSQCQCLNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4OS/c1-3-17-12-10(13)4-5-11(15-12)16(2)6-9-7-18-8-14-9/h4-5,7-8H,3,6,13H2,1-2H3.
What are the key properties of 6-ethoxy-2-N-methyl-2-N-(1,3-thiazol-4-ylmethyl)pyridine-2,5-diamine?
6-ethoxy-2-N-methyl-2-N-(1,3-thiazol-4-ylmethyl)pyridine-2,5-diamine has a molecular weight of 264.35 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-2-N-methyl-2-N-(1,3-thiazol-4-ylmethyl)pyridine-2,5-diamine is sourced from PubChem (CID 55013621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).