2-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methoxypropane-1,2-diamine

C9H17N3OS — CID 106181682

IUPAC2-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methoxypropane-1,2-diamine
SMILESCOCC(CN)Nc1nc(C)c(C)s1
InChIInChI=1S/C9H17N3OS/c1-6-7(2)14-9(11-6)12-8(4-10)5-13-3/h8H,4-5,10H2,1-3H3,(H,11,12)
InChIKeyWVXMVAVHLKVSQO-UHFFFAOYSA-N
MW215.32 g/mol
LogP1.15
Rot. Bonds5

About 2-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methoxypropane-1,2-diamine

2-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methoxypropane-1,2-diamine (PubChem CID 106181682) has the molecular formula C9H17N3OS and a molecular weight of 215.32 g/mol. Its IUPAC name is 2-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methoxypropane-1,2-diamine.

Molecular Properties

Compound Name2-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methoxypropane-1,2-diamine
PubChem CID106181682
Molecular FormulaC9H17N3OS
Molecular Weight215.32 g/mol
Exact Mass215.11
IUPAC Name2-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methoxypropane-1,2-diamine
SMILESCOCC(CN)Nc1nc(C)c(C)s1
InChIInChI=1S/C9H17N3OS/c1-6-7(2)14-9(11-6)12-8(4-10)5-13-3/h8H,4-5,10H2,1-3H3,(H,11,12)
InChIKeyWVXMVAVHLKVSQO-UHFFFAOYSA-N
XLogP1.15
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.32
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methoxypropane-1,2-diamine?
The IUPAC name of 2-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methoxypropane-1,2-diamine (CID 106181682) is 2-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methoxypropane-1,2-diamine.
What is the SMILES notation for 2-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methoxypropane-1,2-diamine?
The canonical SMILES for 2-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methoxypropane-1,2-diamine is COCC(CN)Nc1nc(C)c(C)s1.
What is the InChIKey of 2-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methoxypropane-1,2-diamine?
The InChIKey is WVXMVAVHLKVSQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3OS/c1-6-7(2)14-9(11-6)12-8(4-10)5-13-3/h8H,4-5,10H2,1-3H3,(H,11,12).
What are the key properties of 2-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methoxypropane-1,2-diamine?
2-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methoxypropane-1,2-diamine has a molecular weight of 215.32 g/mol, XLogP of 1.15, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methoxypropane-1,2-diamine is sourced from PubChem (CID 106181682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).