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

C11H17N5S — CID 82221898

IUPAC3-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-5-methyltriazol-4-yl]propan-1-amine
SMILESCc1nc(-n2nnc(CCCN)c2C)sc1C
InChIInChI=1S/C11H17N5S/c1-7-9(3)17-11(13-7)16-8(2)10(14-15-16)5-4-6-12/h4-6,12H2,1-3H3
InChIKeyQJCNMIJXOYNERW-UHFFFAOYSA-N
MW251.36 g/mol
LogP1.54
Rot. Bonds4

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

3-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-5-methyltriazol-4-yl]propan-1-amine (PubChem CID 82221898) has the molecular formula C11H17N5S and a molecular weight of 251.36 g/mol. Its IUPAC name is 3-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-5-methyltriazol-4-yl]propan-1-amine.

Molecular Properties

Compound Name3-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-5-methyltriazol-4-yl]propan-1-amine
PubChem CID82221898
Molecular FormulaC11H17N5S
Molecular Weight251.36 g/mol
Exact Mass251.12
IUPAC Name3-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-5-methyltriazol-4-yl]propan-1-amine
SMILESCc1nc(-n2nnc(CCCN)c2C)sc1C
InChIInChI=1S/C11H17N5S/c1-7-9(3)17-11(13-7)16-8(2)10(14-15-16)5-4-6-12/h4-6,12H2,1-3H3
InChIKeyQJCNMIJXOYNERW-UHFFFAOYSA-N
XLogP1.54
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.36
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[1-(4,5-dimethyl-1,3-thiazol-2-yl)-5-methyltriazol-4-yl]methanamine
CID 82221855
3-[5-methyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)triazol-4-yl]propan-1-amine
CID 82221424
[1-(4,5-dimethyl-1,3-thiazol-2-yl)-5-propyltriazol-4-yl]methanamine
CID 82221857
[5-cyclopropyl-1-(4,5-dimethyl-1,3-thiazol-2-yl)triazol-4-yl]methanamine
CID 82221862
[5-tert-butyl-1-(4,5-dimethyl-1,3-thiazol-2-yl)triazol-4-yl]methanol
CID 82221790
N-(3-aminopropyl)-2-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-3,5-dimethylpyrazol-4-yl]acetamide
CID 84613523
1-(4,5-dimethyl-1,3-thiazol-2-yl)-5-propyltriazole-4-carbonitrile
CID 82221782
3-(3,5-dimethyl-1,2,4-triazin-6-yl)propan-1-amine
CID 82414076
1-(4,5-dimethyl-1,3-thiazol-2-yl)-5-(methoxymethyl)triazole-4-carbaldehyde
CID 82221848
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-4,5-dimethyl-1,3-thiazole
CID 65168801
3-(4,5-dimethyl-1,3-thiazol-2-yl)-5-propan-2-ylsulfonyltriazol-4-amine
CID 82221893
1-(4,5-dimethyl-1,3-thiazol-2-yl)-5-(2-methylpropyl)triazole-4-carbonitrile
CID 82221800

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-5-methyltriazol-4-yl]propan-1-amine?
The IUPAC name of 3-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-5-methyltriazol-4-yl]propan-1-amine (CID 82221898) is 3-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-5-methyltriazol-4-yl]propan-1-amine.
What is the SMILES notation for 3-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-5-methyltriazol-4-yl]propan-1-amine?
The canonical SMILES for 3-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-5-methyltriazol-4-yl]propan-1-amine is Cc1nc(-n2nnc(CCCN)c2C)sc1C.
What is the InChIKey of 3-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-5-methyltriazol-4-yl]propan-1-amine?
The InChIKey is QJCNMIJXOYNERW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5S/c1-7-9(3)17-11(13-7)16-8(2)10(14-15-16)5-4-6-12/h4-6,12H2,1-3H3.
What are the key properties of 3-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-5-methyltriazol-4-yl]propan-1-amine?
3-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-5-methyltriazol-4-yl]propan-1-amine has a molecular weight of 251.36 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-5-methyltriazol-4-yl]propan-1-amine is sourced from PubChem (CID 82221898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).