N',2-dimethyl-2-propyl-N'-(1,3-thiazol-4-ylmethyl)propane-1,3-diamine

C12H23N3S — CID 62256391

IUPACN',2-dimethyl-2-propyl-N'-(1,3-thiazol-4-ylmethyl)propane-1,3-diamine
SMILESCCCC(C)(CN)CN(C)Cc1cscn1
InChIInChI=1S/C12H23N3S/c1-4-5-12(2,8-13)9-15(3)6-11-7-16-10-14-11/h7,10H,4-6,8-9,13H2,1-3H3
InChIKeyOEFKZOFEZGDTOY-UHFFFAOYSA-N
MW241.40 g/mol
LogP2.34
Rot. Bonds7

About N',2-dimethyl-2-propyl-N'-(1,3-thiazol-4-ylmethyl)propane-1,3-diamine

N',2-dimethyl-2-propyl-N'-(1,3-thiazol-4-ylmethyl)propane-1,3-diamine (PubChem CID 62256391) has the molecular formula C12H23N3S and a molecular weight of 241.40 g/mol. Its IUPAC name is N',2-dimethyl-2-propyl-N'-(1,3-thiazol-4-ylmethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN',2-dimethyl-2-propyl-N'-(1,3-thiazol-4-ylmethyl)propane-1,3-diamine
PubChem CID62256391
Molecular FormulaC12H23N3S
Molecular Weight241.40 g/mol
Exact Mass241.16
IUPAC NameN',2-dimethyl-2-propyl-N'-(1,3-thiazol-4-ylmethyl)propane-1,3-diamine
SMILESCCCC(C)(CN)CN(C)Cc1cscn1
InChIInChI=1S/C12H23N3S/c1-4-5-12(2,8-13)9-15(3)6-11-7-16-10-14-11/h7,10H,4-6,8-9,13H2,1-3H3
InChIKeyOEFKZOFEZGDTOY-UHFFFAOYSA-N
XLogP2.34
TPSA42.15 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 ≤ 52.34
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
2,2-dimethyl-N'-propyl-N'-(1,3-thiazol-4-ylmethyl)propane-1,3-diamine
CID 79661265
2-(aminomethyl)-2-ethyl-N-methyl-N-(1,3-thiazol-4-ylmethyl)butanamide
CID 113308943
N'-[(4-bromothiophen-2-yl)methyl]-N',2-dimethyl-2-propylpropane-1,3-diamine
CID 62259572
N'-methyl-N'-(1,3-thiazol-4-ylmethyl)but-2-ene-1,4-diamine
CID 77110740
2,2-dimethyl-5-[methyl(1,3-thiazol-4-ylmethyl)amino]pentanimidamide
CID 65258378
N'-methyl-N-(2-methylbutan-2-yl)-N'-(1,3-thiazol-4-ylmethyl)ethane-1,2-diamine
CID 62553676
2-[1-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]cyclopropyl]ethanamine
CID 65481332
N,2-dimethyl-N-(1,3-thiazol-4-ylmethyl)pentane-1,5-diamine
CID 104682080
N,2-dimethyl-2-piperidin-3-yl-N-(1,3-thiazol-4-ylmethyl)propan-1-amine
CID 83198928
2-methyl-3-[methyl(1,3-thiazol-4-ylmethyl)amino]-2-phenylpropanal
CID 62277752
2,2-diethyl-N'-methyl-N-(2-methylpropyl)-N'-(1,3-thiazol-4-ylmethyl)propane-1,3-diamine
CID 62257257

Frequently Asked Questions

What is the IUPAC name of N',2-dimethyl-2-propyl-N'-(1,3-thiazol-4-ylmethyl)propane-1,3-diamine?
The IUPAC name of N',2-dimethyl-2-propyl-N'-(1,3-thiazol-4-ylmethyl)propane-1,3-diamine (CID 62256391) is N',2-dimethyl-2-propyl-N'-(1,3-thiazol-4-ylmethyl)propane-1,3-diamine.
What is the SMILES notation for N',2-dimethyl-2-propyl-N'-(1,3-thiazol-4-ylmethyl)propane-1,3-diamine?
The canonical SMILES for N',2-dimethyl-2-propyl-N'-(1,3-thiazol-4-ylmethyl)propane-1,3-diamine is CCCC(C)(CN)CN(C)Cc1cscn1.
What is the InChIKey of N',2-dimethyl-2-propyl-N'-(1,3-thiazol-4-ylmethyl)propane-1,3-diamine?
The InChIKey is OEFKZOFEZGDTOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3S/c1-4-5-12(2,8-13)9-15(3)6-11-7-16-10-14-11/h7,10H,4-6,8-9,13H2,1-3H3.
What are the key properties of N',2-dimethyl-2-propyl-N'-(1,3-thiazol-4-ylmethyl)propane-1,3-diamine?
N',2-dimethyl-2-propyl-N'-(1,3-thiazol-4-ylmethyl)propane-1,3-diamine has a molecular weight of 241.40 g/mol, XLogP of 2.34, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N',2-dimethyl-2-propyl-N'-(1,3-thiazol-4-ylmethyl)propane-1,3-diamine is sourced from PubChem (CID 62256391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).