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

C9H13N5S — CID 82221855

IUPAC[1-(4,5-dimethyl-1,3-thiazol-2-yl)-5-methyltriazol-4-yl]methanamine
SMILESCc1nc(-n2nnc(CN)c2C)sc1C
InChIInChI=1S/C9H13N5S/c1-5-7(3)15-9(11-5)14-6(2)8(4-10)12-13-14/h4,10H2,1-3H3
InChIKeyZOHNJRDDEXDACQ-UHFFFAOYSA-N
MW223.30 g/mol
LogP1.11
Rot. Bonds2

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

[1-(4,5-dimethyl-1,3-thiazol-2-yl)-5-methyltriazol-4-yl]methanamine (PubChem CID 82221855) has the molecular formula C9H13N5S and a molecular weight of 223.30 g/mol. Its IUPAC name is [1-(4,5-dimethyl-1,3-thiazol-2-yl)-5-methyltriazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-(4,5-dimethyl-1,3-thiazol-2-yl)-5-methyltriazol-4-yl]methanamine
PubChem CID82221855
Molecular FormulaC9H13N5S
Molecular Weight223.30 g/mol
Exact Mass223.09
IUPAC Name[1-(4,5-dimethyl-1,3-thiazol-2-yl)-5-methyltriazol-4-yl]methanamine
SMILESCc1nc(-n2nnc(CN)c2C)sc1C
InChIInChI=1S/C9H13N5S/c1-5-7(3)15-9(11-5)14-6(2)8(4-10)12-13-14/h4,10H2,1-3H3
InChIKeyZOHNJRDDEXDACQ-UHFFFAOYSA-N
XLogP1.11
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-5-methyltriazol-4-yl]propan-1-amine
CID 82221898
[5-cyclopropyl-1-(4,5-dimethyl-1,3-thiazol-2-yl)triazol-4-yl]methanamine
CID 82221862
[1-(4,5-dimethyl-1,3-thiazol-2-yl)-5-propyltriazol-4-yl]methanamine
CID 82221857
[5-tert-butyl-1-(4,5-dimethyl-1,3-thiazol-2-yl)triazol-4-yl]methanol
CID 82221790
(5-methyl-1-phenyltriazol-4-yl)methanamine;dihydrochloride
CID 154878745
1-(4,5-dimethyl-1,3-thiazol-2-yl)-5-(methoxymethyl)triazole-4-carbaldehyde
CID 82221848
3-[5-methyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)triazol-4-yl]propan-1-amine
CID 82221424
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-propyltriazole-4-carbonitrile
CID 82221782
1-(4,5-dimethyl-1,3-thiazol-2-yl)-5-(2-methylpropyl)triazole-4-carbonitrile
CID 82221800
[1-(4-chloro-2-methylphenyl)-5-methyltriazol-4-yl]methanamine
CID 82195240

Frequently Asked Questions

What is the IUPAC name of [1-(4,5-dimethyl-1,3-thiazol-2-yl)-5-methyltriazol-4-yl]methanamine?
The IUPAC name of [1-(4,5-dimethyl-1,3-thiazol-2-yl)-5-methyltriazol-4-yl]methanamine (CID 82221855) is [1-(4,5-dimethyl-1,3-thiazol-2-yl)-5-methyltriazol-4-yl]methanamine.
What is the SMILES notation for [1-(4,5-dimethyl-1,3-thiazol-2-yl)-5-methyltriazol-4-yl]methanamine?
The canonical SMILES for [1-(4,5-dimethyl-1,3-thiazol-2-yl)-5-methyltriazol-4-yl]methanamine is Cc1nc(-n2nnc(CN)c2C)sc1C.
What is the InChIKey of [1-(4,5-dimethyl-1,3-thiazol-2-yl)-5-methyltriazol-4-yl]methanamine?
The InChIKey is ZOHNJRDDEXDACQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5S/c1-5-7(3)15-9(11-5)14-6(2)8(4-10)12-13-14/h4,10H2,1-3H3.
What are the key properties of [1-(4,5-dimethyl-1,3-thiazol-2-yl)-5-methyltriazol-4-yl]methanamine?
[1-(4,5-dimethyl-1,3-thiazol-2-yl)-5-methyltriazol-4-yl]methanamine has a molecular weight of 223.30 g/mol, XLogP of 1.11, 2 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-methyltriazol-4-yl]methanamine is sourced from PubChem (CID 82221855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).