[1-(4,5-dimethyl-1,3-thiazol-2-yl)-5-propyltriazol-4-yl]methanamine

C11H17N5S — CID 82221857

IUPAC[1-(4,5-dimethyl-1,3-thiazol-2-yl)-5-propyltriazol-4-yl]methanamine
SMILESCCCc1c(CN)nnn1-c1nc(C)c(C)s1
InChIInChI=1S/C11H17N5S/c1-4-5-10-9(6-12)14-15-16(10)11-13-7(2)8(3)17-11/h4-6,12H2,1-3H3
InChIKeySIDJSGNWKYDWHX-UHFFFAOYSA-N
MW251.36 g/mol
LogP1.75
Rot. Bonds4

About [1-(4,5-dimethyl-1,3-thiazol-2-yl)-5-propyltriazol-4-yl]methanamine

[1-(4,5-dimethyl-1,3-thiazol-2-yl)-5-propyltriazol-4-yl]methanamine (PubChem CID 82221857) has the molecular formula C11H17N5S and a molecular weight of 251.36 g/mol. Its IUPAC name is [1-(4,5-dimethyl-1,3-thiazol-2-yl)-5-propyltriazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-(4,5-dimethyl-1,3-thiazol-2-yl)-5-propyltriazol-4-yl]methanamine
PubChem CID82221857
Molecular FormulaC11H17N5S
Molecular Weight251.36 g/mol
Exact Mass251.12
IUPAC Name[1-(4,5-dimethyl-1,3-thiazol-2-yl)-5-propyltriazol-4-yl]methanamine
SMILESCCCc1c(CN)nnn1-c1nc(C)c(C)s1
InChIInChI=1S/C11H17N5S/c1-4-5-10-9(6-12)14-15-16(10)11-13-7(2)8(3)17-11/h4-6,12H2,1-3H3
InChIKeySIDJSGNWKYDWHX-UHFFFAOYSA-N
XLogP1.75
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 ≤ 51.75
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
[1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-propyltriazol-4-yl]methanamine
CID 82221373
1-(4,5-dimethyl-1,3-thiazol-2-yl)-5-propyltriazole-4-carbonitrile
CID 82221782
[5-cyclopropyl-1-(4,5-dimethyl-1,3-thiazol-2-yl)triazol-4-yl]methanamine
CID 82221862
3-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-5-methyltriazol-4-yl]propan-1-amine
CID 82221898
[1-(2,5-dimethylphenyl)-5-propyltriazol-4-yl]methanamine
CID 82195870
[1-(4-chlorophenyl)-5-propyltriazol-4-yl]methanamine
CID 82200808
[1-(3,5-dichlorophenyl)-5-propyltriazol-4-yl]methanamine
CID 82196629
(1-propan-2-yl-5-propyltriazol-4-yl)methanamine
CID 82207030
[5-tert-butyl-1-(4,5-dimethyl-1,3-thiazol-2-yl)triazol-4-yl]methanol
CID 82221790
[5-(2-cyclohexylethyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)triazol-4-yl]methanamine
CID 94962752
1-(4,5-dimethyl-1,3-thiazol-2-yl)-5-(methoxymethyl)triazole-4-carbaldehyde
CID 82221848

Frequently Asked Questions

What is the IUPAC name of [1-(4,5-dimethyl-1,3-thiazol-2-yl)-5-propyltriazol-4-yl]methanamine?
The IUPAC name of [1-(4,5-dimethyl-1,3-thiazol-2-yl)-5-propyltriazol-4-yl]methanamine (CID 82221857) is [1-(4,5-dimethyl-1,3-thiazol-2-yl)-5-propyltriazol-4-yl]methanamine.
What is the SMILES notation for [1-(4,5-dimethyl-1,3-thiazol-2-yl)-5-propyltriazol-4-yl]methanamine?
The canonical SMILES for [1-(4,5-dimethyl-1,3-thiazol-2-yl)-5-propyltriazol-4-yl]methanamine is CCCc1c(CN)nnn1-c1nc(C)c(C)s1.
What is the InChIKey of [1-(4,5-dimethyl-1,3-thiazol-2-yl)-5-propyltriazol-4-yl]methanamine?
The InChIKey is SIDJSGNWKYDWHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5S/c1-4-5-10-9(6-12)14-15-16(10)11-13-7(2)8(3)17-11/h4-6,12H2,1-3H3.
What are the key properties of [1-(4,5-dimethyl-1,3-thiazol-2-yl)-5-propyltriazol-4-yl]methanamine?
[1-(4,5-dimethyl-1,3-thiazol-2-yl)-5-propyltriazol-4-yl]methanamine has a molecular weight of 251.36 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4,5-dimethyl-1,3-thiazol-2-yl)-5-propyltriazol-4-yl]methanamine is sourced from PubChem (CID 82221857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).