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

C11H14N4S — CID 103364171

IUPAC4-methyl-5-N-(2-pyridin-4-ylethyl)-1,2-thiazole-3,5-diamine
SMILESCc1c(N)nsc1NCCc1ccncc1
InChIInChI=1S/C11H14N4S/c1-8-10(12)15-16-11(8)14-7-4-9-2-5-13-6-3-9/h2-3,5-6,14H,4,7H2,1H3,(H2,12,15)
InChIKeyOCEQPYLAKMPFBU-UHFFFAOYSA-N
MW234.33 g/mol
LogP2.08
Rot. Bonds4

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

4-methyl-5-N-(2-pyridin-4-ylethyl)-1,2-thiazole-3,5-diamine (PubChem CID 103364171) has the molecular formula C11H14N4S and a molecular weight of 234.33 g/mol. Its IUPAC name is 4-methyl-5-N-(2-pyridin-4-ylethyl)-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name4-methyl-5-N-(2-pyridin-4-ylethyl)-1,2-thiazole-3,5-diamine
PubChem CID103364171
Molecular FormulaC11H14N4S
Molecular Weight234.33 g/mol
Exact Mass234.09
IUPAC Name4-methyl-5-N-(2-pyridin-4-ylethyl)-1,2-thiazole-3,5-diamine
SMILESCc1c(N)nsc1NCCc1ccncc1
InChIInChI=1S/C11H14N4S/c1-8-10(12)15-16-11(8)14-7-4-9-2-5-13-6-3-9/h2-3,5-6,14H,4,7H2,1H3,(H2,12,15)
InChIKeyOCEQPYLAKMPFBU-UHFFFAOYSA-N
XLogP2.08
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.33
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-pyridin-3-yl-5-N-(2-pyridin-4-ylethyl)-1,2-thiazole-3,5-diamine
CID 103364167
5-N-[2-(2-methoxyphenyl)ethyl]-4-methyl-1,2-thiazole-3,5-diamine
CID 114165618
4-methyl-5-N-[(4-methylphenyl)methyl]-1,2-thiazole-3,5-diamine
CID 103363729
5-N-benzyl-4-methyl-1,2-thiazole-3,5-diamine
CID 103363458
5-N-(2-imidazol-1-ylethyl)-4-methyl-1,2-thiazole-3,5-diamine
CID 103359501
4-methyl-5-N-[[4-(trifluoromethyl)phenyl]methyl]-1,2-thiazole-3,5-diamine
CID 103361077
5-N-(3-methoxypropyl)-4-methyl-1,2-thiazole-3,5-diamine
CID 103363859
4-methyl-5-N-[2-(triazol-1-yl)ethyl]-1,2-thiazole-3,5-diamine
CID 103365106
2-methyl-4-N-(2-pyridin-4-ylethyl)benzene-1,4-diamine
CID 23104838
N-[2-(4-aminophenyl)ethyl]pyridin-4-amine
CID 61220223
5-N-[2-(3-methylphenyl)ethyl]-4-methylsulfonyl-1,2-thiazole-3,5-diamine
CID 103379939
methyl 3-amino-5-(2-phenylethylamino)-1,2-thiazole-4-carboxylate
CID 103382532

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-N-(2-pyridin-4-ylethyl)-1,2-thiazole-3,5-diamine?
The IUPAC name of 4-methyl-5-N-(2-pyridin-4-ylethyl)-1,2-thiazole-3,5-diamine (CID 103364171) is 4-methyl-5-N-(2-pyridin-4-ylethyl)-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 4-methyl-5-N-(2-pyridin-4-ylethyl)-1,2-thiazole-3,5-diamine?
The canonical SMILES for 4-methyl-5-N-(2-pyridin-4-ylethyl)-1,2-thiazole-3,5-diamine is Cc1c(N)nsc1NCCc1ccncc1.
What is the InChIKey of 4-methyl-5-N-(2-pyridin-4-ylethyl)-1,2-thiazole-3,5-diamine?
The InChIKey is OCEQPYLAKMPFBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4S/c1-8-10(12)15-16-11(8)14-7-4-9-2-5-13-6-3-9/h2-3,5-6,14H,4,7H2,1H3,(H2,12,15).
What are the key properties of 4-methyl-5-N-(2-pyridin-4-ylethyl)-1,2-thiazole-3,5-diamine?
4-methyl-5-N-(2-pyridin-4-ylethyl)-1,2-thiazole-3,5-diamine has a molecular weight of 234.33 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-N-(2-pyridin-4-ylethyl)-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103364171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).