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

C11H19N3OS — CID 103363007

IUPAC5-N,4-dimethyl-5-N-(oxan-4-ylmethyl)-1,2-thiazole-3,5-diamine
SMILESCc1c(N)nsc1N(C)CC1CCOCC1
InChIInChI=1S/C11H19N3OS/c1-8-10(12)13-16-11(8)14(2)7-9-3-5-15-6-4-9/h9H,3-7H2,1-2H3,(H2,12,13)
InChIKeyZBTCDKZRNANEIN-UHFFFAOYSA-N
MW241.36 g/mol
LogP1.90
Rot. Bonds3

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

5-N,4-dimethyl-5-N-(oxan-4-ylmethyl)-1,2-thiazole-3,5-diamine (PubChem CID 103363007) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is 5-N,4-dimethyl-5-N-(oxan-4-ylmethyl)-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N,4-dimethyl-5-N-(oxan-4-ylmethyl)-1,2-thiazole-3,5-diamine
PubChem CID103363007
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC Name5-N,4-dimethyl-5-N-(oxan-4-ylmethyl)-1,2-thiazole-3,5-diamine
SMILESCc1c(N)nsc1N(C)CC1CCOCC1
InChIInChI=1S/C11H19N3OS/c1-8-10(12)13-16-11(8)14(2)7-9-3-5-15-6-4-9/h9H,3-7H2,1-2H3,(H2,12,13)
InChIKeyZBTCDKZRNANEIN-UHFFFAOYSA-N
XLogP1.90
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-N,4-dimethyl-5-N-(oxan-4-ylmethyl)-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N,4-dimethyl-5-N-(oxan-4-ylmethyl)-1,2-thiazole-3,5-diamine (CID 103363007) is 5-N,4-dimethyl-5-N-(oxan-4-ylmethyl)-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N,4-dimethyl-5-N-(oxan-4-ylmethyl)-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N,4-dimethyl-5-N-(oxan-4-ylmethyl)-1,2-thiazole-3,5-diamine is Cc1c(N)nsc1N(C)CC1CCOCC1.
What is the InChIKey of 5-N,4-dimethyl-5-N-(oxan-4-ylmethyl)-1,2-thiazole-3,5-diamine?
The InChIKey is ZBTCDKZRNANEIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS/c1-8-10(12)13-16-11(8)14(2)7-9-3-5-15-6-4-9/h9H,3-7H2,1-2H3,(H2,12,13).
What are the key properties of 5-N,4-dimethyl-5-N-(oxan-4-ylmethyl)-1,2-thiazole-3,5-diamine?
5-N,4-dimethyl-5-N-(oxan-4-ylmethyl)-1,2-thiazole-3,5-diamine has a molecular weight of 241.36 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N,4-dimethyl-5-N-(oxan-4-ylmethyl)-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103363007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).