N-[(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methyltriazol-4-yl)methyl]propan-1-amine

C12H19N5S — CID 114033825

IUPACN-[(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methyltriazol-4-yl)methyl]propan-1-amine
SMILESCCCNC(c1sc(C)nc1C)c1cnnn1C
InChIInChI=1S/C12H19N5S/c1-5-6-13-11(10-7-14-16-17(10)4)12-8(2)15-9(3)18-12/h7,11,13H,5-6H2,1-4H3
InChIKeyVAVKRVZWJXEJJY-UHFFFAOYSA-N
MW265.39 g/mol
LogP1.98
Rot. Bonds5

About N-[(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methyltriazol-4-yl)methyl]propan-1-amine

N-[(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methyltriazol-4-yl)methyl]propan-1-amine (PubChem CID 114033825) has the molecular formula C12H19N5S and a molecular weight of 265.39 g/mol. Its IUPAC name is N-[(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methyltriazol-4-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methyltriazol-4-yl)methyl]propan-1-amine
PubChem CID114033825
Molecular FormulaC12H19N5S
Molecular Weight265.39 g/mol
Exact Mass265.14
IUPAC NameN-[(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methyltriazol-4-yl)methyl]propan-1-amine
SMILESCCCNC(c1sc(C)nc1C)c1cnnn1C
InChIInChI=1S/C12H19N5S/c1-5-6-13-11(10-7-14-16-17(10)4)12-8(2)15-9(3)18-12/h7,11,13H,5-6H2,1-4H3
InChIKeyVAVKRVZWJXEJJY-UHFFFAOYSA-N
XLogP1.98
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.39
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3-methyltriazol-4-yl)-thiophen-3-ylmethyl]propan-1-amine
CID 114687092
N-[(6-methyl-2-pyridinyl)-(3-methyltriazol-4-yl)methyl]propan-1-amine
CID 114687717
N-[(3,5-dimethyl-2-pyridinyl)-(3-methyltriazol-4-yl)methyl]propan-1-amine
CID 114689034
N-[(3-methyltriazol-4-yl)-thieno[3,2-b]thiophen-5-ylmethyl]propan-1-amine
CID 105043457
N-[(4-ethoxyphenyl)-(3-methyltriazol-4-yl)methyl]propan-1-amine
CID 105043493
1-(3-methyltriazol-4-yl)-N-propylbutan-1-amine
CID 114687206
N-[(2,4-difluorophenyl)-(3-methyltriazol-4-yl)methyl]propan-1-amine
CID 114687635
N-[(3-methyltriazol-4-yl)-quinoxalin-6-ylmethyl]propan-1-amine
CID 114687811
1-(2,4-dimethyl-1,3-thiazol-5-yl)-2-ethyl-N-propylbutan-1-amine
CID 114033793
N-[(3-methyltriazol-4-yl)-quinolin-5-ylmethyl]propan-1-amine
CID 105184613
1-(3-methyltriazol-4-yl)-N-propylheptan-1-amine
CID 105043647
3-methyl-1-(3-methyltriazol-4-yl)-N-propylpentan-1-amine
CID 105043705

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methyltriazol-4-yl)methyl]propan-1-amine?
The IUPAC name of N-[(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methyltriazol-4-yl)methyl]propan-1-amine (CID 114033825) is N-[(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methyltriazol-4-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methyltriazol-4-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methyltriazol-4-yl)methyl]propan-1-amine is CCCNC(c1sc(C)nc1C)c1cnnn1C.
What is the InChIKey of N-[(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methyltriazol-4-yl)methyl]propan-1-amine?
The InChIKey is VAVKRVZWJXEJJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5S/c1-5-6-13-11(10-7-14-16-17(10)4)12-8(2)15-9(3)18-12/h7,11,13H,5-6H2,1-4H3.
What are the key properties of N-[(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methyltriazol-4-yl)methyl]propan-1-amine?
N-[(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methyltriazol-4-yl)methyl]propan-1-amine has a molecular weight of 265.39 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methyltriazol-4-yl)methyl]propan-1-amine is sourced from PubChem (CID 114033825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).