4-methyl-5-N-(oxan-3-ylmethyl)-1,2-thiazole-3,5-diamine

C10H17N3OS — CID 103359238

IUPAC4-methyl-5-N-(oxan-3-ylmethyl)-1,2-thiazole-3,5-diamine
SMILESCc1c(N)nsc1NCC1CCCOC1
InChIInChI=1S/C10H17N3OS/c1-7-9(11)13-15-10(7)12-5-8-3-2-4-14-6-8/h8,12H,2-6H2,1H3,(H2,11,13)
InChIKeyXXFDBYOUHVCCMT-UHFFFAOYSA-N
MW227.33 g/mol
LogP1.87
Rot. Bonds3

About 4-methyl-5-N-(oxan-3-ylmethyl)-1,2-thiazole-3,5-diamine

4-methyl-5-N-(oxan-3-ylmethyl)-1,2-thiazole-3,5-diamine (PubChem CID 103359238) has the molecular formula C10H17N3OS and a molecular weight of 227.33 g/mol. Its IUPAC name is 4-methyl-5-N-(oxan-3-ylmethyl)-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name4-methyl-5-N-(oxan-3-ylmethyl)-1,2-thiazole-3,5-diamine
PubChem CID103359238
Molecular FormulaC10H17N3OS
Molecular Weight227.33 g/mol
Exact Mass227.11
IUPAC Name4-methyl-5-N-(oxan-3-ylmethyl)-1,2-thiazole-3,5-diamine
SMILESCc1c(N)nsc1NCC1CCCOC1
InChIInChI=1S/C10H17N3OS/c1-7-9(11)13-15-10(7)12-5-8-3-2-4-14-6-8/h8,12H,2-6H2,1H3,(H2,11,13)
InChIKeyXXFDBYOUHVCCMT-UHFFFAOYSA-N
XLogP1.87
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-N-(oxan-3-ylmethyl)-1,2-thiazole-3,5-diamine?
The IUPAC name of 4-methyl-5-N-(oxan-3-ylmethyl)-1,2-thiazole-3,5-diamine (CID 103359238) is 4-methyl-5-N-(oxan-3-ylmethyl)-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 4-methyl-5-N-(oxan-3-ylmethyl)-1,2-thiazole-3,5-diamine?
The canonical SMILES for 4-methyl-5-N-(oxan-3-ylmethyl)-1,2-thiazole-3,5-diamine is Cc1c(N)nsc1NCC1CCCOC1.
What is the InChIKey of 4-methyl-5-N-(oxan-3-ylmethyl)-1,2-thiazole-3,5-diamine?
The InChIKey is XXFDBYOUHVCCMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS/c1-7-9(11)13-15-10(7)12-5-8-3-2-4-14-6-8/h8,12H,2-6H2,1H3,(H2,11,13).
What are the key properties of 4-methyl-5-N-(oxan-3-ylmethyl)-1,2-thiazole-3,5-diamine?
4-methyl-5-N-(oxan-3-ylmethyl)-1,2-thiazole-3,5-diamine has a molecular weight of 227.33 g/mol, XLogP of 1.87, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-N-(oxan-3-ylmethyl)-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103359238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).