3-N,3-N-diethyl-3-methyl-2-N-propyl-1-(1,3-thiazol-5-yl)butane-2,3-diamine

C15H29N3S — CID 112643280

IUPAC3-N,3-N-diethyl-3-methyl-2-N-propyl-1-(1,3-thiazol-5-yl)butane-2,3-diamine
SMILESCCCNC(Cc1cncs1)C(C)(C)N(CC)CC
InChIInChI=1S/C15H29N3S/c1-6-9-17-14(10-13-11-16-12-19-13)15(4,5)18(7-2)8-3/h11-12,14,17H,6-10H2,1-5H3
InChIKeyGAMOBPQBCLCOIC-UHFFFAOYSA-N
MW283.48 g/mol
LogP3.17
Rot. Bonds9

About 3-N,3-N-diethyl-3-methyl-2-N-propyl-1-(1,3-thiazol-5-yl)butane-2,3-diamine

3-N,3-N-diethyl-3-methyl-2-N-propyl-1-(1,3-thiazol-5-yl)butane-2,3-diamine (PubChem CID 112643280) has the molecular formula C15H29N3S and a molecular weight of 283.48 g/mol. Its IUPAC name is 3-N,3-N-diethyl-3-methyl-2-N-propyl-1-(1,3-thiazol-5-yl)butane-2,3-diamine.

Molecular Properties

Compound Name3-N,3-N-diethyl-3-methyl-2-N-propyl-1-(1,3-thiazol-5-yl)butane-2,3-diamine
PubChem CID112643280
Molecular FormulaC15H29N3S
Molecular Weight283.48 g/mol
Exact Mass283.21
IUPAC Name3-N,3-N-diethyl-3-methyl-2-N-propyl-1-(1,3-thiazol-5-yl)butane-2,3-diamine
SMILESCCCNC(Cc1cncs1)C(C)(C)N(CC)CC
InChIInChI=1S/C15H29N3S/c1-6-9-17-14(10-13-11-16-12-19-13)15(4,5)18(7-2)8-3/h11-12,14,17H,6-10H2,1-5H3
InChIKeyGAMOBPQBCLCOIC-UHFFFAOYSA-N
XLogP3.17
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.48
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-pyrimidin-2-yl-2-(1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 112642835
2-N,3-N,3-N,3-tetramethyl-1-(1,3-thiazol-5-yl)pentane-2,3-diamine
CID 112643294
1-propan-2-ylsulfanyl-N-propyl-3-(1,3-thiazol-5-yl)propan-2-amine
CID 112643118
N-[1-(2-bromophenyl)-2-(1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 112642896
3-methoxy-N-propyl-1-(1,3-thiazol-5-yl)pentan-2-amine
CID 116716182
N-[1-(2,2-dimethylcyclopropyl)-2-(1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 107004920
N-[1-(3-bicyclo[3.1.0]hexanyl)-2-(1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 105030316
3-methyl-N-propyl-4-(1,3-thiazol-5-yl)butan-1-amine
CID 112645545
5-methoxy-N-propyl-1-(1,3-thiazol-5-yl)pentan-2-amine
CID 112643106
1-butan-2-ylsulfanyl-N-propyl-3-(1,3-thiazol-5-yl)propan-2-amine
CID 112643130
N-[1-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-(1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 115979218
N-[1-(3-bromo-4-methoxyphenyl)-2-(1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 105030364

Frequently Asked Questions

What is the IUPAC name of 3-N,3-N-diethyl-3-methyl-2-N-propyl-1-(1,3-thiazol-5-yl)butane-2,3-diamine?
The IUPAC name of 3-N,3-N-diethyl-3-methyl-2-N-propyl-1-(1,3-thiazol-5-yl)butane-2,3-diamine (CID 112643280) is 3-N,3-N-diethyl-3-methyl-2-N-propyl-1-(1,3-thiazol-5-yl)butane-2,3-diamine.
What is the SMILES notation for 3-N,3-N-diethyl-3-methyl-2-N-propyl-1-(1,3-thiazol-5-yl)butane-2,3-diamine?
The canonical SMILES for 3-N,3-N-diethyl-3-methyl-2-N-propyl-1-(1,3-thiazol-5-yl)butane-2,3-diamine is CCCNC(Cc1cncs1)C(C)(C)N(CC)CC.
What is the InChIKey of 3-N,3-N-diethyl-3-methyl-2-N-propyl-1-(1,3-thiazol-5-yl)butane-2,3-diamine?
The InChIKey is GAMOBPQBCLCOIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3S/c1-6-9-17-14(10-13-11-16-12-19-13)15(4,5)18(7-2)8-3/h11-12,14,17H,6-10H2,1-5H3.
What are the key properties of 3-N,3-N-diethyl-3-methyl-2-N-propyl-1-(1,3-thiazol-5-yl)butane-2,3-diamine?
3-N,3-N-diethyl-3-methyl-2-N-propyl-1-(1,3-thiazol-5-yl)butane-2,3-diamine has a molecular weight of 283.48 g/mol, XLogP of 3.17, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,3-N-diethyl-3-methyl-2-N-propyl-1-(1,3-thiazol-5-yl)butane-2,3-diamine is sourced from PubChem (CID 112643280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).