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

C11H19N3OS2 — CID 103364736

IUPAC4-ethoxy-5-N-[(2-methylthiolan-2-yl)methyl]-1,2-thiazole-3,5-diamine
SMILESCCOc1c(N)nsc1NCC1(C)CCCS1
InChIInChI=1S/C11H19N3OS2/c1-3-15-8-9(12)14-17-10(8)13-7-11(2)5-4-6-16-11/h13H,3-7H2,1-2H3,(H2,12,14)
InChIKeyDRRBQJGZSNGVJY-UHFFFAOYSA-N
MW273.43 g/mol
LogP2.82
Rot. Bonds5

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

4-ethoxy-5-N-[(2-methylthiolan-2-yl)methyl]-1,2-thiazole-3,5-diamine (PubChem CID 103364736) has the molecular formula C11H19N3OS2 and a molecular weight of 273.43 g/mol. Its IUPAC name is 4-ethoxy-5-N-[(2-methylthiolan-2-yl)methyl]-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name4-ethoxy-5-N-[(2-methylthiolan-2-yl)methyl]-1,2-thiazole-3,5-diamine
PubChem CID103364736
Molecular FormulaC11H19N3OS2
Molecular Weight273.43 g/mol
Exact Mass273.10
IUPAC Name4-ethoxy-5-N-[(2-methylthiolan-2-yl)methyl]-1,2-thiazole-3,5-diamine
SMILESCCOc1c(N)nsc1NCC1(C)CCCS1
InChIInChI=1S/C11H19N3OS2/c1-3-15-8-9(12)14-17-10(8)13-7-11(2)5-4-6-16-11/h13H,3-7H2,1-2H3,(H2,12,14)
InChIKeyDRRBQJGZSNGVJY-UHFFFAOYSA-N
XLogP2.82
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.43
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-ethylsulfonyl-5-N-[(2-methylthiolan-2-yl)methyl]-1,2-thiazole-3,5-diamine
CID 103364732
5-N-[[1-(dimethylamino)cyclopentyl]methyl]-4-ethoxy-1,2-thiazole-3,5-diamine
CID 103365012
4-ethoxy-5-N-(2-ethylbutyl)-1,2-thiazole-3,5-diamine
CID 103365604
4-ethoxy-5-N-(2-methoxy-2-methylpropyl)-1,2-thiazole-3,5-diamine
CID 103365436
4-ethoxy-5-N-(2-thiomorpholin-4-ylethyl)-1,2-thiazole-3,5-diamine
CID 106327712
4-ethoxy-5-N-(3,3,5,5-tetramethylcyclohexyl)-1,2-thiazole-3,5-diamine
CID 103365278
5-[(3-amino-4-ethoxy-1,2-thiazol-5-yl)amino]pentanamide
CID 114162925
4-ethoxy-5-N-(1H-1,2,4-triazol-5-ylmethyl)-1,2-thiazole-3,5-diamine
CID 103364283
4-ethoxy-5-N-(1H-imidazol-2-ylmethyl)-1,2-thiazole-3,5-diamine
CID 103359710
4-ethoxy-5-N-(4-propan-2-yloxybutyl)-1,2-thiazole-3,5-diamine
CID 114137469
5-methoxy-N-[(2-methylthiolan-2-yl)methyl]pyrimidin-2-amine
CID 114600714
ethyl 4-methyl-2-[(2-methylthiolan-2-yl)methylamino]pyrimidine-5-carboxylate
CID 83180321

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-5-N-[(2-methylthiolan-2-yl)methyl]-1,2-thiazole-3,5-diamine?
The IUPAC name of 4-ethoxy-5-N-[(2-methylthiolan-2-yl)methyl]-1,2-thiazole-3,5-diamine (CID 103364736) is 4-ethoxy-5-N-[(2-methylthiolan-2-yl)methyl]-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 4-ethoxy-5-N-[(2-methylthiolan-2-yl)methyl]-1,2-thiazole-3,5-diamine?
The canonical SMILES for 4-ethoxy-5-N-[(2-methylthiolan-2-yl)methyl]-1,2-thiazole-3,5-diamine is CCOc1c(N)nsc1NCC1(C)CCCS1.
What is the InChIKey of 4-ethoxy-5-N-[(2-methylthiolan-2-yl)methyl]-1,2-thiazole-3,5-diamine?
The InChIKey is DRRBQJGZSNGVJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS2/c1-3-15-8-9(12)14-17-10(8)13-7-11(2)5-4-6-16-11/h13H,3-7H2,1-2H3,(H2,12,14).
What are the key properties of 4-ethoxy-5-N-[(2-methylthiolan-2-yl)methyl]-1,2-thiazole-3,5-diamine?
4-ethoxy-5-N-[(2-methylthiolan-2-yl)methyl]-1,2-thiazole-3,5-diamine has a molecular weight of 273.43 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-5-N-[(2-methylthiolan-2-yl)methyl]-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103364736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).