4-ethoxy-5-N-[(2-methylpyrimidin-4-yl)methyl]-1,2-thiazole-3,5-diamine

C11H15N5OS — CID 103359216

IUPAC4-ethoxy-5-N-[(2-methylpyrimidin-4-yl)methyl]-1,2-thiazole-3,5-diamine
SMILESCCOc1c(N)nsc1NCc1ccnc(C)n1
InChIInChI=1S/C11H15N5OS/c1-3-17-9-10(12)16-18-11(9)14-6-8-4-5-13-7(2)15-8/h4-5,14H,3,6H2,1-2H3,(H2,12,16)
InChIKeyGOJNNXPXYCXDJH-UHFFFAOYSA-N
MW265.34 g/mol
LogP1.83
Rot. Bonds5

About 4-ethoxy-5-N-[(2-methylpyrimidin-4-yl)methyl]-1,2-thiazole-3,5-diamine

4-ethoxy-5-N-[(2-methylpyrimidin-4-yl)methyl]-1,2-thiazole-3,5-diamine (PubChem CID 103359216) has the molecular formula C11H15N5OS and a molecular weight of 265.34 g/mol. Its IUPAC name is 4-ethoxy-5-N-[(2-methylpyrimidin-4-yl)methyl]-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name4-ethoxy-5-N-[(2-methylpyrimidin-4-yl)methyl]-1,2-thiazole-3,5-diamine
PubChem CID103359216
Molecular FormulaC11H15N5OS
Molecular Weight265.34 g/mol
Exact Mass265.10
IUPAC Name4-ethoxy-5-N-[(2-methylpyrimidin-4-yl)methyl]-1,2-thiazole-3,5-diamine
SMILESCCOc1c(N)nsc1NCc1ccnc(C)n1
InChIInChI=1S/C11H15N5OS/c1-3-17-9-10(12)16-18-11(9)14-6-8-4-5-13-7(2)15-8/h4-5,14H,3,6H2,1-2H3,(H2,12,16)
InChIKeyGOJNNXPXYCXDJH-UHFFFAOYSA-N
XLogP1.83
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-ethoxy-5-N-(1H-imidazol-2-ylmethyl)-1,2-thiazole-3,5-diamine
CID 103359710
4-ethoxy-5-N-[[2-(ethoxymethyl)phenyl]methyl]-1,2-thiazole-3,5-diamine
CID 103364258
5-N-[(2-methylpyrimidin-4-yl)methyl]-1,2-thiazole-3,5-diamine
CID 103359219
3-methyl-5-[(2-methylpyrimidin-4-yl)methylamino]-1,2-thiazole-4-carbonitrile
CID 79375794
4-ethoxy-5-N-(1H-1,2,4-triazol-5-ylmethyl)-1,2-thiazole-3,5-diamine
CID 103364283
4-ethoxy-N-[(2-methylpyrimidin-4-yl)methyl]pyrimidin-2-amine
CID 112636949
3-methyl-5-[(2-methylpyrimidin-4-yl)methylamino]-1,2-thiazole-4-carboxylic acid
CID 79401986
4-ethoxy-5-N-(2-ethylbutyl)-1,2-thiazole-3,5-diamine
CID 103365604
2-N-[(2-methylpyrimidin-4-yl)methyl]pyrimidine-2,4-diamine
CID 116795587
4-ethoxy-5-N-(2-methoxy-2-methylpropyl)-1,2-thiazole-3,5-diamine
CID 103365436
4-ethoxy-5-N-[1-(4-methylphenoxy)propan-2-yl]-1,2-thiazole-3,5-diamine
CID 103359367
5-methyl-4-N-[(2-methylpyrimidin-4-yl)methyl]pyrimidine-4,6-diamine
CID 80813252

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-5-N-[(2-methylpyrimidin-4-yl)methyl]-1,2-thiazole-3,5-diamine?
The IUPAC name of 4-ethoxy-5-N-[(2-methylpyrimidin-4-yl)methyl]-1,2-thiazole-3,5-diamine (CID 103359216) is 4-ethoxy-5-N-[(2-methylpyrimidin-4-yl)methyl]-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 4-ethoxy-5-N-[(2-methylpyrimidin-4-yl)methyl]-1,2-thiazole-3,5-diamine?
The canonical SMILES for 4-ethoxy-5-N-[(2-methylpyrimidin-4-yl)methyl]-1,2-thiazole-3,5-diamine is CCOc1c(N)nsc1NCc1ccnc(C)n1.
What is the InChIKey of 4-ethoxy-5-N-[(2-methylpyrimidin-4-yl)methyl]-1,2-thiazole-3,5-diamine?
The InChIKey is GOJNNXPXYCXDJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5OS/c1-3-17-9-10(12)16-18-11(9)14-6-8-4-5-13-7(2)15-8/h4-5,14H,3,6H2,1-2H3,(H2,12,16).
What are the key properties of 4-ethoxy-5-N-[(2-methylpyrimidin-4-yl)methyl]-1,2-thiazole-3,5-diamine?
4-ethoxy-5-N-[(2-methylpyrimidin-4-yl)methyl]-1,2-thiazole-3,5-diamine has a molecular weight of 265.34 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-5-N-[(2-methylpyrimidin-4-yl)methyl]-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103359216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).