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

C12H23N3S — CID 79661265

IUPAC2,2-dimethyl-N'-propyl-N'-(1,3-thiazol-4-ylmethyl)propane-1,3-diamine
SMILESCCCN(Cc1cscn1)CC(C)(C)CN
InChIInChI=1S/C12H23N3S/c1-4-5-15(9-12(2,3)8-13)6-11-7-16-10-14-11/h7,10H,4-6,8-9,13H2,1-3H3
InChIKeyFYFBQNNLXXCSRA-UHFFFAOYSA-N
MW241.40 g/mol
LogP2.34
Rot. Bonds7

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

2,2-dimethyl-N'-propyl-N'-(1,3-thiazol-4-ylmethyl)propane-1,3-diamine (PubChem CID 79661265) has the molecular formula C12H23N3S and a molecular weight of 241.40 g/mol. Its IUPAC name is 2,2-dimethyl-N'-propyl-N'-(1,3-thiazol-4-ylmethyl)propane-1,3-diamine.

Molecular Properties

Compound Name2,2-dimethyl-N'-propyl-N'-(1,3-thiazol-4-ylmethyl)propane-1,3-diamine
PubChem CID79661265
Molecular FormulaC12H23N3S
Molecular Weight241.40 g/mol
Exact Mass241.16
IUPAC Name2,2-dimethyl-N'-propyl-N'-(1,3-thiazol-4-ylmethyl)propane-1,3-diamine
SMILESCCCN(Cc1cscn1)CC(C)(C)CN
InChIInChI=1S/C12H23N3S/c1-4-5-15(9-12(2,3)8-13)6-11-7-16-10-14-11/h7,10H,4-6,8-9,13H2,1-3H3
InChIKeyFYFBQNNLXXCSRA-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

2,2-dimethyl-N'-propyl-N'-(pyridin-2-ylmethyl)propane-1,3-diamine
CID 79668381
N',2-dimethyl-2-propyl-N'-(1,3-thiazol-4-ylmethyl)propane-1,3-diamine
CID 62256391
2,2-dimethyl-N'-propyl-N'-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]propane-1,3-diamine
CID 79665269
methyl 2-[propyl(1,3-thiazol-4-ylmethyl)amino]acetate
CID 62012526
2,2-dimethyl-N'-propyl-N'-[(4-trimethylsilylphenyl)methyl]propane-1,3-diamine
CID 103438203
2,2-dimethyl-N'-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-N'-propylpropane-1,3-diamine
CID 79661509
N'-[(3,5-dichlorophenyl)methyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine
CID 79667468
N'-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine
CID 79661679
N'-[(1,3-diethylpyrazol-5-yl)methyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine
CID 79661919
N'-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine
CID 80606650
2,2-dimethyl-N'-propyl-N'-(quinolin-4-ylmethyl)propane-1,3-diamine
CID 79662734
2-(aminomethyl)-2-ethyl-N-methyl-N-(1,3-thiazol-4-ylmethyl)butanamide
CID 113308943

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N'-propyl-N'-(1,3-thiazol-4-ylmethyl)propane-1,3-diamine?
The IUPAC name of 2,2-dimethyl-N'-propyl-N'-(1,3-thiazol-4-ylmethyl)propane-1,3-diamine (CID 79661265) is 2,2-dimethyl-N'-propyl-N'-(1,3-thiazol-4-ylmethyl)propane-1,3-diamine.
What is the SMILES notation for 2,2-dimethyl-N'-propyl-N'-(1,3-thiazol-4-ylmethyl)propane-1,3-diamine?
The canonical SMILES for 2,2-dimethyl-N'-propyl-N'-(1,3-thiazol-4-ylmethyl)propane-1,3-diamine is CCCN(Cc1cscn1)CC(C)(C)CN.
What is the InChIKey of 2,2-dimethyl-N'-propyl-N'-(1,3-thiazol-4-ylmethyl)propane-1,3-diamine?
The InChIKey is FYFBQNNLXXCSRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3S/c1-4-5-15(9-12(2,3)8-13)6-11-7-16-10-14-11/h7,10H,4-6,8-9,13H2,1-3H3.
What are the key properties of 2,2-dimethyl-N'-propyl-N'-(1,3-thiazol-4-ylmethyl)propane-1,3-diamine?
2,2-dimethyl-N'-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 2,2-dimethyl-N'-propyl-N'-(1,3-thiazol-4-ylmethyl)propane-1,3-diamine is sourced from PubChem (CID 79661265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).