2-N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-1-N,1-N-diethylpropane-1,2-diamine

C15H29N3S — CID 63121141

IUPAC2-N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-1-N,1-N-diethylpropane-1,2-diamine
SMILESCCN(CC)CC(C)NCc1cnc(C(C)(C)C)s1
InChIInChI=1S/C15H29N3S/c1-7-18(8-2)11-12(3)16-9-13-10-17-14(19-13)15(4,5)6/h10,12,16H,7-9,11H2,1-6H3
InChIKeyOEIBABAAMBBLNW-UHFFFAOYSA-N
MW283.48 g/mol
LogP3.26
Rot. Bonds7

About 2-N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-1-N,1-N-diethylpropane-1,2-diamine

2-N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-1-N,1-N-diethylpropane-1,2-diamine (PubChem CID 63121141) has the molecular formula C15H29N3S and a molecular weight of 283.48 g/mol. Its IUPAC name is 2-N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-1-N,1-N-diethylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-1-N,1-N-diethylpropane-1,2-diamine
PubChem CID63121141
Molecular FormulaC15H29N3S
Molecular Weight283.48 g/mol
Exact Mass283.21
IUPAC Name2-N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-1-N,1-N-diethylpropane-1,2-diamine
SMILESCCN(CC)CC(C)NCc1cnc(C(C)(C)C)s1
InChIInChI=1S/C15H29N3S/c1-7-18(8-2)11-12(3)16-9-13-10-17-14(19-13)15(4,5)6/h10,12,16H,7-9,11H2,1-6H3
InChIKeyOEIBABAAMBBLNW-UHFFFAOYSA-N
XLogP3.26
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.48
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-4-methylsulfanylbutan-2-amine
CID 115640023
2-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]-3-methylbutan-1-ol
CID 79254041
(2S)-2-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]butan-1-ol
CID 104980601
1-(2-tert-butyl-1,3-thiazol-5-yl)-N-(2-methylpropoxy)methanamine
CID 82710745
N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-1-cyclobutylethanamine
CID 115768431
N-[[2-(diethylaminomethyl)-1,3-thiazol-5-yl]methyl]butan-2-amine
CID 82424643
N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-1-(2H-tetrazol-5-yl)ethanamine
CID 63121121
N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-3-methyl-2-propan-2-ylbutan-1-amine
CID 102904081
methyl (2S)-2-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]-3-methylbutanoate
CID 55179474
1-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]-3-(dimethylamino)propan-2-ol
CID 111579157
1-N,1-N-diethyl-2-N-[(3-methylimidazol-4-yl)methyl]propane-1,2-diamine
CID 63378660
1-N,1-N-diethyl-4-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]pentane-1,4-diamine
CID 54883558

Frequently Asked Questions

What is the IUPAC name of 2-N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-1-N,1-N-diethylpropane-1,2-diamine?
The IUPAC name of 2-N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-1-N,1-N-diethylpropane-1,2-diamine (CID 63121141) is 2-N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-1-N,1-N-diethylpropane-1,2-diamine.
What is the SMILES notation for 2-N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-1-N,1-N-diethylpropane-1,2-diamine?
The canonical SMILES for 2-N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-1-N,1-N-diethylpropane-1,2-diamine is CCN(CC)CC(C)NCc1cnc(C(C)(C)C)s1.
What is the InChIKey of 2-N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-1-N,1-N-diethylpropane-1,2-diamine?
The InChIKey is OEIBABAAMBBLNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3S/c1-7-18(8-2)11-12(3)16-9-13-10-17-14(19-13)15(4,5)6/h10,12,16H,7-9,11H2,1-6H3.
What are the key properties of 2-N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-1-N,1-N-diethylpropane-1,2-diamine?
2-N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-1-N,1-N-diethylpropane-1,2-diamine has a molecular weight of 283.48 g/mol, XLogP of 3.26, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-1-N,1-N-diethylpropane-1,2-diamine is sourced from PubChem (CID 63121141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).