N,N'-dimethyl-N'-(1,3-thiazol-2-yl)propane-1,3-diamine

C8H15N3S — CID 69151207

IUPACN,N'-dimethyl-N'-(1,3-thiazol-2-yl)propane-1,3-diamine
SMILESCNCCCN(C)c1nccs1
InChIInChI=1S/C8H15N3S/c1-9-4-3-6-11(2)8-10-5-7-12-8/h5,7,9H,3-4,6H2,1-2H3
InChIKeyMIUMQVHWCYZFLJ-UHFFFAOYSA-N
MW185.30 g/mol
LogP1.19
Rot. Bonds5

About N,N'-dimethyl-N'-(1,3-thiazol-2-yl)propane-1,3-diamine

N,N'-dimethyl-N'-(1,3-thiazol-2-yl)propane-1,3-diamine (PubChem CID 69151207) has the molecular formula C8H15N3S and a molecular weight of 185.30 g/mol. Its IUPAC name is N,N'-dimethyl-N'-(1,3-thiazol-2-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN,N'-dimethyl-N'-(1,3-thiazol-2-yl)propane-1,3-diamine
PubChem CID69151207
Molecular FormulaC8H15N3S
Molecular Weight185.30 g/mol
Exact Mass185.10
IUPAC NameN,N'-dimethyl-N'-(1,3-thiazol-2-yl)propane-1,3-diamine
SMILESCNCCCN(C)c1nccs1
InChIInChI=1S/C8H15N3S/c1-9-4-3-6-11(2)8-10-5-7-12-8/h5,7,9H,3-4,6H2,1-2H3
InChIKeyMIUMQVHWCYZFLJ-UHFFFAOYSA-N
XLogP1.19
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.30
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N'-dimethyl-N'-(1,3-thiazol-2-yl)propane-1,3-diamine?
The IUPAC name of N,N'-dimethyl-N'-(1,3-thiazol-2-yl)propane-1,3-diamine (CID 69151207) is N,N'-dimethyl-N'-(1,3-thiazol-2-yl)propane-1,3-diamine.
What is the SMILES notation for N,N'-dimethyl-N'-(1,3-thiazol-2-yl)propane-1,3-diamine?
The canonical SMILES for N,N'-dimethyl-N'-(1,3-thiazol-2-yl)propane-1,3-diamine is CNCCCN(C)c1nccs1.
What is the InChIKey of N,N'-dimethyl-N'-(1,3-thiazol-2-yl)propane-1,3-diamine?
The InChIKey is MIUMQVHWCYZFLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3S/c1-9-4-3-6-11(2)8-10-5-7-12-8/h5,7,9H,3-4,6H2,1-2H3.
What are the key properties of N,N'-dimethyl-N'-(1,3-thiazol-2-yl)propane-1,3-diamine?
N,N'-dimethyl-N'-(1,3-thiazol-2-yl)propane-1,3-diamine has a molecular weight of 185.30 g/mol, XLogP of 1.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethyl-N'-(1,3-thiazol-2-yl)propane-1,3-diamine is sourced from PubChem (CID 69151207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).