3-(4,5-dimethyl-1,3-thiazol-2-yl)-5-propan-2-ylsulfonyltriazol-4-amine

C10H15N5O2S2 — CID 82221893

IUPAC3-(4,5-dimethyl-1,3-thiazol-2-yl)-5-propan-2-ylsulfonyltriazol-4-amine
SMILESCc1nc(-n2nnc(S(=O)(=O)C(C)C)c2N)sc1C
InChIInChI=1S/C10H15N5O2S2/c1-5(2)19(16,17)9-8(11)15(14-13-9)10-12-6(3)7(4)18-10/h5H,11H2,1-4H3
InChIKeyZOLSDCOCVRJJJD-UHFFFAOYSA-N
MW301.40 g/mol
LogP1.10
Rot. Bonds3

About 3-(4,5-dimethyl-1,3-thiazol-2-yl)-5-propan-2-ylsulfonyltriazol-4-amine

3-(4,5-dimethyl-1,3-thiazol-2-yl)-5-propan-2-ylsulfonyltriazol-4-amine (PubChem CID 82221893) has the molecular formula C10H15N5O2S2 and a molecular weight of 301.40 g/mol. Its IUPAC name is 3-(4,5-dimethyl-1,3-thiazol-2-yl)-5-propan-2-ylsulfonyltriazol-4-amine.

Molecular Properties

Compound Name3-(4,5-dimethyl-1,3-thiazol-2-yl)-5-propan-2-ylsulfonyltriazol-4-amine
PubChem CID82221893
Molecular FormulaC10H15N5O2S2
Molecular Weight301.40 g/mol
Exact Mass301.07
IUPAC Name3-(4,5-dimethyl-1,3-thiazol-2-yl)-5-propan-2-ylsulfonyltriazol-4-amine
SMILESCc1nc(-n2nnc(S(=O)(=O)C(C)C)c2N)sc1C
InChIInChI=1S/C10H15N5O2S2/c1-5(2)19(16,17)9-8(11)15(14-13-9)10-12-6(3)7(4)18-10/h5H,11H2,1-4H3
InChIKeyZOLSDCOCVRJJJD-UHFFFAOYSA-N
XLogP1.10
TPSA103.76 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.40
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

[1-(4,5-dimethyl-1,3-thiazol-2-yl)-5-methyltriazol-4-yl]methanamine
CID 82221855
1-(4,5-dimethyl-1,3-thiazol-2-yl)-5-(2-methylpropyl)triazole-4-carbonitrile
CID 82221800
3-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-5-methyltriazol-4-yl]propan-1-amine
CID 82221898
2-(5-amino-4-propan-2-ylsulfonyltriazol-1-yl)-N-methylacetamide
CID 82211309
[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-(methoxymethyl)triazole-4-carbaldehyde
CID 82221848
[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-ethylsulfonyl-3-(1,3-thiazol-2-yl)triazol-4-amine
CID 82220973
1-(4,5-dimethyl-1,3-thiazol-2-yl)-5-propyltriazole-4-carbonitrile
CID 82221782
4-[(5-amino-4-propan-2-ylsulfonyltriazol-1-yl)methyl]benzonitrile
CID 82222781
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-4,5-dimethyl-1,3-thiazole
CID 65168801

Frequently Asked Questions

What is the IUPAC name of 3-(4,5-dimethyl-1,3-thiazol-2-yl)-5-propan-2-ylsulfonyltriazol-4-amine?
The IUPAC name of 3-(4,5-dimethyl-1,3-thiazol-2-yl)-5-propan-2-ylsulfonyltriazol-4-amine (CID 82221893) is 3-(4,5-dimethyl-1,3-thiazol-2-yl)-5-propan-2-ylsulfonyltriazol-4-amine.
What is the SMILES notation for 3-(4,5-dimethyl-1,3-thiazol-2-yl)-5-propan-2-ylsulfonyltriazol-4-amine?
The canonical SMILES for 3-(4,5-dimethyl-1,3-thiazol-2-yl)-5-propan-2-ylsulfonyltriazol-4-amine is Cc1nc(-n2nnc(S(=O)(=O)C(C)C)c2N)sc1C.
What is the InChIKey of 3-(4,5-dimethyl-1,3-thiazol-2-yl)-5-propan-2-ylsulfonyltriazol-4-amine?
The InChIKey is ZOLSDCOCVRJJJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O2S2/c1-5(2)19(16,17)9-8(11)15(14-13-9)10-12-6(3)7(4)18-10/h5H,11H2,1-4H3.
What are the key properties of 3-(4,5-dimethyl-1,3-thiazol-2-yl)-5-propan-2-ylsulfonyltriazol-4-amine?
3-(4,5-dimethyl-1,3-thiazol-2-yl)-5-propan-2-ylsulfonyltriazol-4-amine has a molecular weight of 301.40 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-dimethyl-1,3-thiazol-2-yl)-5-propan-2-ylsulfonyltriazol-4-amine is sourced from PubChem (CID 82221893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).