(2S)-2-N-ethyl-1-N,1-N-dimethyl-2-N-(1,3-thiazol-5-ylmethyl)propane-1,2-diamine

C11H21N3S — CID 100694202

IUPAC(2S)-2-N-ethyl-1-N,1-N-dimethyl-2-N-(1,3-thiazol-5-ylmethyl)propane-1,2-diamine
SMILESCCN(Cc1cncs1)[C@@H](C)CN(C)C
InChIInChI=1S/C11H21N3S/c1-5-14(10(2)7-13(3)4)8-11-6-12-9-15-11/h6,9-10H,5,7-8H2,1-4H3/t10-/m0/s1
InChIKeyNNOJWZHXWMGVQV-JTQLQIEISA-N
MW227.38 g/mol
LogP1.92
Rot. Bonds6

About (2S)-2-N-ethyl-1-N,1-N-dimethyl-2-N-(1,3-thiazol-5-ylmethyl)propane-1,2-diamine

(2S)-2-N-ethyl-1-N,1-N-dimethyl-2-N-(1,3-thiazol-5-ylmethyl)propane-1,2-diamine (PubChem CID 100694202) has the molecular formula C11H21N3S and a molecular weight of 227.38 g/mol. Its IUPAC name is (2S)-2-N-ethyl-1-N,1-N-dimethyl-2-N-(1,3-thiazol-5-ylmethyl)propane-1,2-diamine.

Molecular Properties

Compound Name(2S)-2-N-ethyl-1-N,1-N-dimethyl-2-N-(1,3-thiazol-5-ylmethyl)propane-1,2-diamine
PubChem CID100694202
Molecular FormulaC11H21N3S
Molecular Weight227.38 g/mol
Exact Mass227.15
IUPAC Name(2S)-2-N-ethyl-1-N,1-N-dimethyl-2-N-(1,3-thiazol-5-ylmethyl)propane-1,2-diamine
SMILESCCN(Cc1cncs1)[C@@H](C)CN(C)C
InChIInChI=1S/C11H21N3S/c1-5-14(10(2)7-13(3)4)8-11-6-12-9-15-11/h6,9-10H,5,7-8H2,1-4H3/t10-/m0/s1
InChIKeyNNOJWZHXWMGVQV-JTQLQIEISA-N
XLogP1.92
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.38
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-N-ethyl-1-N,1-N-dimethyl-2-N-(1,3-thiazol-5-ylmethyl)propane-1,2-diamine?
The IUPAC name of (2S)-2-N-ethyl-1-N,1-N-dimethyl-2-N-(1,3-thiazol-5-ylmethyl)propane-1,2-diamine (CID 100694202) is (2S)-2-N-ethyl-1-N,1-N-dimethyl-2-N-(1,3-thiazol-5-ylmethyl)propane-1,2-diamine.
What is the SMILES notation for (2S)-2-N-ethyl-1-N,1-N-dimethyl-2-N-(1,3-thiazol-5-ylmethyl)propane-1,2-diamine?
The canonical SMILES for (2S)-2-N-ethyl-1-N,1-N-dimethyl-2-N-(1,3-thiazol-5-ylmethyl)propane-1,2-diamine is CCN(Cc1cncs1)[C@@H](C)CN(C)C.
What is the InChIKey of (2S)-2-N-ethyl-1-N,1-N-dimethyl-2-N-(1,3-thiazol-5-ylmethyl)propane-1,2-diamine?
The InChIKey is NNOJWZHXWMGVQV-JTQLQIEISA-N. The full InChI is InChI=1S/C11H21N3S/c1-5-14(10(2)7-13(3)4)8-11-6-12-9-15-11/h6,9-10H,5,7-8H2,1-4H3/t10-/m0/s1.
What are the key properties of (2S)-2-N-ethyl-1-N,1-N-dimethyl-2-N-(1,3-thiazol-5-ylmethyl)propane-1,2-diamine?
(2S)-2-N-ethyl-1-N,1-N-dimethyl-2-N-(1,3-thiazol-5-ylmethyl)propane-1,2-diamine has a molecular weight of 227.38 g/mol, XLogP of 1.92, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-N-ethyl-1-N,1-N-dimethyl-2-N-(1,3-thiazol-5-ylmethyl)propane-1,2-diamine is sourced from PubChem (CID 100694202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).