N'-methyl-N-(2-methylbutan-2-yl)-N'-(1,3-thiazol-4-ylmethyl)ethane-1,2-diamine

C12H23N3S — CID 62553676

IUPACN'-methyl-N-(2-methylbutan-2-yl)-N'-(1,3-thiazol-4-ylmethyl)ethane-1,2-diamine
SMILESCCC(C)(C)NCCN(C)Cc1cscn1
InChIInChI=1S/C12H23N3S/c1-5-12(2,3)14-6-7-15(4)8-11-9-16-10-13-11/h9-10,14H,5-8H2,1-4H3
InChIKeyLQZXGXOTZVTIGE-UHFFFAOYSA-N
MW241.40 g/mol
LogP2.35
Rot. Bonds7

About N'-methyl-N-(2-methylbutan-2-yl)-N'-(1,3-thiazol-4-ylmethyl)ethane-1,2-diamine

N'-methyl-N-(2-methylbutan-2-yl)-N'-(1,3-thiazol-4-ylmethyl)ethane-1,2-diamine (PubChem CID 62553676) has the molecular formula C12H23N3S and a molecular weight of 241.40 g/mol. Its IUPAC name is N'-methyl-N-(2-methylbutan-2-yl)-N'-(1,3-thiazol-4-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-methyl-N-(2-methylbutan-2-yl)-N'-(1,3-thiazol-4-ylmethyl)ethane-1,2-diamine
PubChem CID62553676
Molecular FormulaC12H23N3S
Molecular Weight241.40 g/mol
Exact Mass241.16
IUPAC NameN'-methyl-N-(2-methylbutan-2-yl)-N'-(1,3-thiazol-4-ylmethyl)ethane-1,2-diamine
SMILESCCC(C)(C)NCCN(C)Cc1cscn1
InChIInChI=1S/C12H23N3S/c1-5-12(2,3)14-6-7-15(4)8-11-9-16-10-13-11/h9-10,14H,5-8H2,1-4H3
InChIKeyLQZXGXOTZVTIGE-UHFFFAOYSA-N
XLogP2.35
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 ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-1-[methyl(1,3-thiazol-4-ylmethyl)amino]butan-2-ol
CID 114495556
N'-methyl-N-(3-methylbutyl)-N'-(1,3-thiazol-4-ylmethyl)ethane-1,2-diamine
CID 62554167
N-cycloheptyl-N'-methyl-N'-(1,3-thiazol-4-ylmethyl)ethane-1,2-diamine
CID 62575304
N'-methyl-N-phenyl-N'-(1,3-thiazol-4-ylmethyl)propane-1,3-diamine
CID 55087775
N'-[(5-bromothiophen-3-yl)methyl]-N'-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine
CID 62557712
5-[methyl(1,3-thiazol-4-ylmethyl)amino]pentan-1-ol
CID 62228232
9-[methyl(1,3-thiazol-4-ylmethyl)amino]nonane-1-thiol
CID 105344114
2,2-dimethyl-5-[methyl(1,3-thiazol-4-ylmethyl)amino]pentanimidamide
CID 65258378
N'-[(4-chlorophenyl)methyl]-N'-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine
CID 55088980
N-cyclopropyl-N'-methyl-N'-(1,3-thiazol-4-ylmethyl)pentane-1,5-diamine
CID 62427015
2-methyl-2-[[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]amino]butanoic acid
CID 79801758
N',2-dimethyl-2-propyl-N'-(1,3-thiazol-4-ylmethyl)propane-1,3-diamine
CID 62256391

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-(2-methylbutan-2-yl)-N'-(1,3-thiazol-4-ylmethyl)ethane-1,2-diamine?
The IUPAC name of N'-methyl-N-(2-methylbutan-2-yl)-N'-(1,3-thiazol-4-ylmethyl)ethane-1,2-diamine (CID 62553676) is N'-methyl-N-(2-methylbutan-2-yl)-N'-(1,3-thiazol-4-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-methyl-N-(2-methylbutan-2-yl)-N'-(1,3-thiazol-4-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for N'-methyl-N-(2-methylbutan-2-yl)-N'-(1,3-thiazol-4-ylmethyl)ethane-1,2-diamine is CCC(C)(C)NCCN(C)Cc1cscn1.
What is the InChIKey of N'-methyl-N-(2-methylbutan-2-yl)-N'-(1,3-thiazol-4-ylmethyl)ethane-1,2-diamine?
The InChIKey is LQZXGXOTZVTIGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3S/c1-5-12(2,3)14-6-7-15(4)8-11-9-16-10-13-11/h9-10,14H,5-8H2,1-4H3.
What are the key properties of N'-methyl-N-(2-methylbutan-2-yl)-N'-(1,3-thiazol-4-ylmethyl)ethane-1,2-diamine?
N'-methyl-N-(2-methylbutan-2-yl)-N'-(1,3-thiazol-4-ylmethyl)ethane-1,2-diamine has a molecular weight of 241.40 g/mol, XLogP of 2.35, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-(2-methylbutan-2-yl)-N'-(1,3-thiazol-4-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 62553676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).