4-methyl-5-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)-1,3-thiazol-2-amine

C10H15N5S — CID 62794314

IUPAC4-methyl-5-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)-1,3-thiazol-2-amine
SMILESCc1nc(N)sc1-c1nnc(C)n1C(C)C
InChIInChI=1S/C10H15N5S/c1-5(2)15-7(4)13-14-9(15)8-6(3)12-10(11)16-8/h5H,1-4H3,(H2,11,12)
InChIKeyIYJYORYEXCPRNO-UHFFFAOYSA-N
MW237.33 g/mol
LogP2.18
Rot. Bonds2

About 4-methyl-5-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)-1,3-thiazol-2-amine

4-methyl-5-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)-1,3-thiazol-2-amine (PubChem CID 62794314) has the molecular formula C10H15N5S and a molecular weight of 237.33 g/mol. Its IUPAC name is 4-methyl-5-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-methyl-5-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)-1,3-thiazol-2-amine
PubChem CID62794314
Molecular FormulaC10H15N5S
Molecular Weight237.33 g/mol
Exact Mass237.10
IUPAC Name4-methyl-5-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)-1,3-thiazol-2-amine
SMILESCc1nc(N)sc1-c1nnc(C)n1C(C)C
InChIInChI=1S/C10H15N5S/c1-5(2)15-7(4)13-14-9(15)8-6(3)12-10(11)16-8/h5H,1-4H3,(H2,11,12)
InChIKeyIYJYORYEXCPRNO-UHFFFAOYSA-N
XLogP2.18
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.33
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)-1,3-thiazol-2-amine?
The IUPAC name of 4-methyl-5-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)-1,3-thiazol-2-amine (CID 62794314) is 4-methyl-5-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-methyl-5-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-methyl-5-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)-1,3-thiazol-2-amine is Cc1nc(N)sc1-c1nnc(C)n1C(C)C.
What is the InChIKey of 4-methyl-5-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)-1,3-thiazol-2-amine?
The InChIKey is IYJYORYEXCPRNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5S/c1-5(2)15-7(4)13-14-9(15)8-6(3)12-10(11)16-8/h5H,1-4H3,(H2,11,12).
What are the key properties of 4-methyl-5-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)-1,3-thiazol-2-amine?
4-methyl-5-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)-1,3-thiazol-2-amine has a molecular weight of 237.33 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 62794314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).