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

C12H23N3S — CID 65169160

IUPACN-(4,5-dimethyl-1,3-thiazol-2-yl)-N',N'-diethylpropane-1,3-diamine
SMILESCCN(CC)CCCNc1nc(C)c(C)s1
InChIInChI=1S/C12H23N3S/c1-5-15(6-2)9-7-8-13-12-14-10(3)11(4)16-12/h5-9H2,1-4H3,(H,13,14)
InChIKeyMNUNCJFNGWRYGQ-UHFFFAOYSA-N
MW241.40 g/mol
LogP2.90
Rot. Bonds7

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

N-(4,5-dimethyl-1,3-thiazol-2-yl)-N',N'-diethylpropane-1,3-diamine (PubChem CID 65169160) has the molecular formula C12H23N3S and a molecular weight of 241.40 g/mol. Its IUPAC name is N-(4,5-dimethyl-1,3-thiazol-2-yl)-N',N'-diethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-N',N'-diethylpropane-1,3-diamine
PubChem CID65169160
Molecular FormulaC12H23N3S
Molecular Weight241.40 g/mol
Exact Mass241.16
IUPAC NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-N',N'-diethylpropane-1,3-diamine
SMILESCCN(CC)CCCNc1nc(C)c(C)s1
InChIInChI=1S/C12H23N3S/c1-5-15(6-2)9-7-8-13-12-14-10(3)11(4)16-12/h5-9H2,1-4H3,(H,13,14)
InChIKeyMNUNCJFNGWRYGQ-UHFFFAOYSA-N
XLogP2.90
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.40
LogP ≤ 52.90
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-(4,5-dimethyl-1,3-thiazol-2-yl)-N',N'-diethylpropane-1,3-diamine?
The IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-N',N'-diethylpropane-1,3-diamine (CID 65169160) is N-(4,5-dimethyl-1,3-thiazol-2-yl)-N',N'-diethylpropane-1,3-diamine.
What is the SMILES notation for N-(4,5-dimethyl-1,3-thiazol-2-yl)-N',N'-diethylpropane-1,3-diamine?
The canonical SMILES for N-(4,5-dimethyl-1,3-thiazol-2-yl)-N',N'-diethylpropane-1,3-diamine is CCN(CC)CCCNc1nc(C)c(C)s1.
What is the InChIKey of N-(4,5-dimethyl-1,3-thiazol-2-yl)-N',N'-diethylpropane-1,3-diamine?
The InChIKey is MNUNCJFNGWRYGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3S/c1-5-15(6-2)9-7-8-13-12-14-10(3)11(4)16-12/h5-9H2,1-4H3,(H,13,14).
What are the key properties of N-(4,5-dimethyl-1,3-thiazol-2-yl)-N',N'-diethylpropane-1,3-diamine?
N-(4,5-dimethyl-1,3-thiazol-2-yl)-N',N'-diethylpropane-1,3-diamine has a molecular weight of 241.40 g/mol, XLogP of 2.90, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-1,3-thiazol-2-yl)-N',N'-diethylpropane-1,3-diamine is sourced from PubChem (CID 65169160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).