N'-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-N',2,2-trimethylpropane-1,3-diamine;dihydrochloride

C14H29Cl2N3S — CID 119928855

IUPACN'-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-N',2,2-trimethylpropane-1,3-diamine;dihydrochloride
SMILESCN(Cc1nc(C(C)(C)C)cs1)CC(C)(C)CN.Cl.Cl
InChIInChI=1S/C14H27N3S.2ClH/c1-13(2,3)11-8-18-12(16-11)7-17(6)10-14(4,5)9-15;;/h8H,7,9-10,15H2,1-6H3;2*1H
InChIKeyBSFAUAXZEZQLAD-UHFFFAOYSA-N
MW342.38 g/mol
LogP3.70
Rot. Bonds5

About N'-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-N',2,2-trimethylpropane-1,3-diamine;dihydrochloride

N'-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-N',2,2-trimethylpropane-1,3-diamine;dihydrochloride (PubChem CID 119928855) has the molecular formula C14H29Cl2N3S and a molecular weight of 342.38 g/mol. Its IUPAC name is N'-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-N',2,2-trimethylpropane-1,3-diamine;dihydrochloride.

Molecular Properties

Compound NameN'-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-N',2,2-trimethylpropane-1,3-diamine;dihydrochloride
PubChem CID119928855
Molecular FormulaC14H29Cl2N3S
Molecular Weight342.38 g/mol
Exact Mass341.15
IUPAC NameN'-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-N',2,2-trimethylpropane-1,3-diamine;dihydrochloride
SMILESCN(Cc1nc(C(C)(C)C)cs1)CC(C)(C)CN.Cl.Cl
InChIInChI=1S/C14H27N3S.2ClH/c1-13(2,3)11-8-18-12(16-11)7-17(6)10-14(4,5)9-15;;/h8H,7,9-10,15H2,1-6H3;2*1H
InChIKeyBSFAUAXZEZQLAD-UHFFFAOYSA-N
XLogP3.70
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.38
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N'-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-N',2,2-trimethylpropane-1,3-diamine;dihydrochloride?
The IUPAC name of N'-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-N',2,2-trimethylpropane-1,3-diamine;dihydrochloride (CID 119928855) is N'-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-N',2,2-trimethylpropane-1,3-diamine;dihydrochloride.
What is the SMILES notation for N'-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-N',2,2-trimethylpropane-1,3-diamine;dihydrochloride?
The canonical SMILES for N'-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-N',2,2-trimethylpropane-1,3-diamine;dihydrochloride is CN(Cc1nc(C(C)(C)C)cs1)CC(C)(C)CN.Cl.Cl.
What is the InChIKey of N'-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-N',2,2-trimethylpropane-1,3-diamine;dihydrochloride?
The InChIKey is BSFAUAXZEZQLAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3S.2ClH/c1-13(2,3)11-8-18-12(16-11)7-17(6)10-14(4,5)9-15;;/h8H,7,9-10,15H2,1-6H3;2*1H.
What are the key properties of N'-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-N',2,2-trimethylpropane-1,3-diamine;dihydrochloride?
N'-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-N',2,2-trimethylpropane-1,3-diamine;dihydrochloride has a molecular weight of 342.38 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-N',2,2-trimethylpropane-1,3-diamine;dihydrochloride is sourced from PubChem (CID 119928855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).