1-N,2-N-dimethyl-2-N-(1,3-thiazol-4-ylmethyl)propane-1,2-diamine

C9H17N3S — CID 62426470

IUPAC1-N,2-N-dimethyl-2-N-(1,3-thiazol-4-ylmethyl)propane-1,2-diamine
SMILESCNCC(C)N(C)Cc1cscn1
InChIInChI=1S/C9H17N3S/c1-8(4-10-2)12(3)5-9-6-13-7-11-9/h6-8,10H,4-5H2,1-3H3
InChIKeyAKJVFFZIDLSWNM-UHFFFAOYSA-N
MW199.32 g/mol
LogP1.18
Rot. Bonds5

About 1-N,2-N-dimethyl-2-N-(1,3-thiazol-4-ylmethyl)propane-1,2-diamine

1-N,2-N-dimethyl-2-N-(1,3-thiazol-4-ylmethyl)propane-1,2-diamine (PubChem CID 62426470) has the molecular formula C9H17N3S and a molecular weight of 199.32 g/mol. Its IUPAC name is 1-N,2-N-dimethyl-2-N-(1,3-thiazol-4-ylmethyl)propane-1,2-diamine.

Molecular Properties

Compound Name1-N,2-N-dimethyl-2-N-(1,3-thiazol-4-ylmethyl)propane-1,2-diamine
PubChem CID62426470
Molecular FormulaC9H17N3S
Molecular Weight199.32 g/mol
Exact Mass199.11
IUPAC Name1-N,2-N-dimethyl-2-N-(1,3-thiazol-4-ylmethyl)propane-1,2-diamine
SMILESCNCC(C)N(C)Cc1cscn1
InChIInChI=1S/C9H17N3S/c1-8(4-10-2)12(3)5-9-6-13-7-11-9/h6-8,10H,4-5H2,1-3H3
InChIKeyAKJVFFZIDLSWNM-UHFFFAOYSA-N
XLogP1.18
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.32
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-N-ethyl-3-N,2-dimethyl-3-N-(1,3-thiazol-4-ylmethyl)butane-1,3-diamine
CID 81012095
N,N',2-trimethyl-N'-(1,3-thiazol-4-ylmethyl)propane-1,3-diamine
CID 62427011
2-N-methyl-1-N-propan-2-yl-2-N-(1,3-thiazol-4-ylmethyl)butane-1,2-diamine
CID 62426830
2-N,3-dimethyl-1-N-propyl-2-N-(1,3-thiazol-4-ylmethyl)butane-1,2-diamine
CID 62428614
1-N-tert-butyl-2-N,3-dimethyl-2-N-(1,3-thiazol-4-ylmethyl)butane-1,2-diamine
CID 62425924
3-methyl-2-[methyl(1,3-thiazol-4-ylmethyl)amino]butanehydrazide
CID 63583188
(2R)-N-tert-butyl-2-[methyl(1,3-thiazol-4-ylmethyl)amino]propanamide
CID 94200145
2-methyl-3-[methyl(1,3-thiazol-4-ylmethyl)amino]butanehydrazide
CID 79409328
N,2-dimethyl-N'-[2-(1,3-thiazol-4-yl)ethyl]propane-1,3-diamine
CID 79202050
ethyl 2-[methyl(1,3-thiazol-4-ylmethyl)amino]butanoate
CID 64662480
2,2-diethyl-N'-methyl-N-(2-methylpropyl)-N'-(1,3-thiazol-4-ylmethyl)propane-1,3-diamine
CID 62257257
N,N'-dimethyl-2-methylidene-N'-(1,3-thiazol-4-ylmethyl)propane-1,3-diamine
CID 103070150

Frequently Asked Questions

What is the IUPAC name of 1-N,2-N-dimethyl-2-N-(1,3-thiazol-4-ylmethyl)propane-1,2-diamine?
The IUPAC name of 1-N,2-N-dimethyl-2-N-(1,3-thiazol-4-ylmethyl)propane-1,2-diamine (CID 62426470) is 1-N,2-N-dimethyl-2-N-(1,3-thiazol-4-ylmethyl)propane-1,2-diamine.
What is the SMILES notation for 1-N,2-N-dimethyl-2-N-(1,3-thiazol-4-ylmethyl)propane-1,2-diamine?
The canonical SMILES for 1-N,2-N-dimethyl-2-N-(1,3-thiazol-4-ylmethyl)propane-1,2-diamine is CNCC(C)N(C)Cc1cscn1.
What is the InChIKey of 1-N,2-N-dimethyl-2-N-(1,3-thiazol-4-ylmethyl)propane-1,2-diamine?
The InChIKey is AKJVFFZIDLSWNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3S/c1-8(4-10-2)12(3)5-9-6-13-7-11-9/h6-8,10H,4-5H2,1-3H3.
What are the key properties of 1-N,2-N-dimethyl-2-N-(1,3-thiazol-4-ylmethyl)propane-1,2-diamine?
1-N,2-N-dimethyl-2-N-(1,3-thiazol-4-ylmethyl)propane-1,2-diamine has a molecular weight of 199.32 g/mol, XLogP of 1.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2-N-dimethyl-2-N-(1,3-thiazol-4-ylmethyl)propane-1,2-diamine is sourced from PubChem (CID 62426470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).