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

C10H18N4S2 — CID 106327709

IUPAC4-methyl-5-N-(2-thiomorpholin-4-ylethyl)-1,2-thiazole-3,5-diamine
SMILESCc1c(N)nsc1NCCN1CCSCC1
InChIInChI=1S/C10H18N4S2/c1-8-9(11)13-16-10(8)12-2-3-14-4-6-15-7-5-14/h12H,2-7H2,1H3,(H2,11,13)
InChIKeyOPOWEWQUJHSYEY-UHFFFAOYSA-N
MW258.42 g/mol
LogP1.49
Rot. Bonds4

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

4-methyl-5-N-(2-thiomorpholin-4-ylethyl)-1,2-thiazole-3,5-diamine (PubChem CID 106327709) has the molecular formula C10H18N4S2 and a molecular weight of 258.42 g/mol. Its IUPAC name is 4-methyl-5-N-(2-thiomorpholin-4-ylethyl)-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name4-methyl-5-N-(2-thiomorpholin-4-ylethyl)-1,2-thiazole-3,5-diamine
PubChem CID106327709
Molecular FormulaC10H18N4S2
Molecular Weight258.42 g/mol
Exact Mass258.10
IUPAC Name4-methyl-5-N-(2-thiomorpholin-4-ylethyl)-1,2-thiazole-3,5-diamine
SMILESCc1c(N)nsc1NCCN1CCSCC1
InChIInChI=1S/C10H18N4S2/c1-8-9(11)13-16-10(8)12-2-3-14-4-6-15-7-5-14/h12H,2-7H2,1H3,(H2,11,13)
InChIKeyOPOWEWQUJHSYEY-UHFFFAOYSA-N
XLogP1.49
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.42
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-N-(2-thiomorpholin-4-ylethyl)-1,2-thiazole-3,5-diamine?
The IUPAC name of 4-methyl-5-N-(2-thiomorpholin-4-ylethyl)-1,2-thiazole-3,5-diamine (CID 106327709) is 4-methyl-5-N-(2-thiomorpholin-4-ylethyl)-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 4-methyl-5-N-(2-thiomorpholin-4-ylethyl)-1,2-thiazole-3,5-diamine?
The canonical SMILES for 4-methyl-5-N-(2-thiomorpholin-4-ylethyl)-1,2-thiazole-3,5-diamine is Cc1c(N)nsc1NCCN1CCSCC1.
What is the InChIKey of 4-methyl-5-N-(2-thiomorpholin-4-ylethyl)-1,2-thiazole-3,5-diamine?
The InChIKey is OPOWEWQUJHSYEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4S2/c1-8-9(11)13-16-10(8)12-2-3-14-4-6-15-7-5-14/h12H,2-7H2,1H3,(H2,11,13).
What are the key properties of 4-methyl-5-N-(2-thiomorpholin-4-ylethyl)-1,2-thiazole-3,5-diamine?
4-methyl-5-N-(2-thiomorpholin-4-ylethyl)-1,2-thiazole-3,5-diamine has a molecular weight of 258.42 g/mol, XLogP of 1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-N-(2-thiomorpholin-4-ylethyl)-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 106327709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).