N'-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-N'-ethyl-2,2-dimethylpropane-1,3-diamine

C15H29N3S — CID 79668037

IUPACN'-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-N'-ethyl-2,2-dimethylpropane-1,3-diamine
SMILESCCN(Cc1csc(C(C)(C)C)n1)CC(C)(C)CN
InChIInChI=1S/C15H29N3S/c1-7-18(11-15(5,6)10-16)8-12-9-19-13(17-12)14(2,3)4/h9H,7-8,10-11,16H2,1-6H3
InChIKeyAVCCLZRAVFVENJ-UHFFFAOYSA-N
MW283.48 g/mol
LogP3.25
Rot. Bonds6

About N'-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-N'-ethyl-2,2-dimethylpropane-1,3-diamine

N'-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-N'-ethyl-2,2-dimethylpropane-1,3-diamine (PubChem CID 79668037) has the molecular formula C15H29N3S and a molecular weight of 283.48 g/mol. Its IUPAC name is N'-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-N'-ethyl-2,2-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-N'-ethyl-2,2-dimethylpropane-1,3-diamine
PubChem CID79668037
Molecular FormulaC15H29N3S
Molecular Weight283.48 g/mol
Exact Mass283.21
IUPAC NameN'-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-N'-ethyl-2,2-dimethylpropane-1,3-diamine
SMILESCCN(Cc1csc(C(C)(C)C)n1)CC(C)(C)CN
InChIInChI=1S/C15H29N3S/c1-7-18(11-15(5,6)10-16)8-12-9-19-13(17-12)14(2,3)4/h9H,7-8,10-11,16H2,1-6H3
InChIKeyAVCCLZRAVFVENJ-UHFFFAOYSA-N
XLogP3.25
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.48
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N'-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-N'-ethyl-2,2-dimethylpropane-1,3-diamine?
The IUPAC name of N'-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-N'-ethyl-2,2-dimethylpropane-1,3-diamine (CID 79668037) is N'-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-N'-ethyl-2,2-dimethylpropane-1,3-diamine.
What is the SMILES notation for N'-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-N'-ethyl-2,2-dimethylpropane-1,3-diamine?
The canonical SMILES for N'-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-N'-ethyl-2,2-dimethylpropane-1,3-diamine is CCN(Cc1csc(C(C)(C)C)n1)CC(C)(C)CN.
What is the InChIKey of N'-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-N'-ethyl-2,2-dimethylpropane-1,3-diamine?
The InChIKey is AVCCLZRAVFVENJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3S/c1-7-18(11-15(5,6)10-16)8-12-9-19-13(17-12)14(2,3)4/h9H,7-8,10-11,16H2,1-6H3.
What are the key properties of N'-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-N'-ethyl-2,2-dimethylpropane-1,3-diamine?
N'-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-N'-ethyl-2,2-dimethylpropane-1,3-diamine has a molecular weight of 283.48 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-N'-ethyl-2,2-dimethylpropane-1,3-diamine is sourced from PubChem (CID 79668037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).