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

C10H13N5S — CID 62794315

IUPAC5-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)-4-methyl-1,3-thiazol-2-amine
SMILESCc1nc(N)sc1-c1nnc(C)n1C1CC1
InChIInChI=1S/C10H13N5S/c1-5-8(16-10(11)12-5)9-14-13-6(2)15(9)7-3-4-7/h7H,3-4H2,1-2H3,(H2,11,12)
InChIKeyAKJPIPCLTXFYEL-UHFFFAOYSA-N
MW235.32 g/mol
LogP1.94
Rot. Bonds2

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

5-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)-4-methyl-1,3-thiazol-2-amine (PubChem CID 62794315) has the molecular formula C10H13N5S and a molecular weight of 235.32 g/mol. Its IUPAC name is 5-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)-4-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)-4-methyl-1,3-thiazol-2-amine
PubChem CID62794315
Molecular FormulaC10H13N5S
Molecular Weight235.32 g/mol
Exact Mass235.09
IUPAC Name5-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)-4-methyl-1,3-thiazol-2-amine
SMILESCc1nc(N)sc1-c1nnc(C)n1C1CC1
InChIInChI=1S/C10H13N5S/c1-5-8(16-10(11)12-5)9-14-13-6(2)15(9)7-3-4-7/h7H,3-4H2,1-2H3,(H2,11,12)
InChIKeyAKJPIPCLTXFYEL-UHFFFAOYSA-N
XLogP1.94
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.32
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)-4-methyl-1,3-thiazol-2-amine?
The IUPAC name of 5-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)-4-methyl-1,3-thiazol-2-amine (CID 62794315) is 5-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)-4-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)-4-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)-4-methyl-1,3-thiazol-2-amine is Cc1nc(N)sc1-c1nnc(C)n1C1CC1.
What is the InChIKey of 5-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)-4-methyl-1,3-thiazol-2-amine?
The InChIKey is AKJPIPCLTXFYEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5S/c1-5-8(16-10(11)12-5)9-14-13-6(2)15(9)7-3-4-7/h7H,3-4H2,1-2H3,(H2,11,12).
What are the key properties of 5-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)-4-methyl-1,3-thiazol-2-amine?
5-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)-4-methyl-1,3-thiazol-2-amine has a molecular weight of 235.32 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)-4-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 62794315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).