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

C10H13N5S — CID 50965994

IUPAC5-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-4-methyl-1,3-thiazol-2-amine
SMILESCc1nc(N)sc1Cc1nc(C2CC2)n[nH]1
InChIInChI=1S/C10H13N5S/c1-5-7(16-10(11)12-5)4-8-13-9(15-14-8)6-2-3-6/h6H,2-4H2,1H3,(H2,11,12)(H,13,14,15)
InChIKeySDXASRSKEPSGDM-UHFFFAOYSA-N
MW235.32 g/mol
LogP1.62
Rot. Bonds3

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

5-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-4-methyl-1,3-thiazol-2-amine (PubChem CID 50965994) has the molecular formula C10H13N5S and a molecular weight of 235.32 g/mol. Its IUPAC name is 5-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-4-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-4-methyl-1,3-thiazol-2-amine
PubChem CID50965994
Molecular FormulaC10H13N5S
Molecular Weight235.32 g/mol
Exact Mass235.09
IUPAC Name5-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-4-methyl-1,3-thiazol-2-amine
SMILESCc1nc(N)sc1Cc1nc(C2CC2)n[nH]1
InChIInChI=1S/C10H13N5S/c1-5-7(16-10(11)12-5)4-8-13-9(15-14-8)6-2-3-6/h6H,2-4H2,1H3,(H2,11,12)(H,13,14,15)
InChIKeySDXASRSKEPSGDM-UHFFFAOYSA-N
XLogP1.62
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.32
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-4-methyl-1,3-thiazol-2-amine?
The IUPAC name of 5-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-4-methyl-1,3-thiazol-2-amine (CID 50965994) is 5-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-4-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-4-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-4-methyl-1,3-thiazol-2-amine is Cc1nc(N)sc1Cc1nc(C2CC2)n[nH]1.
What is the InChIKey of 5-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-4-methyl-1,3-thiazol-2-amine?
The InChIKey is SDXASRSKEPSGDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5S/c1-5-7(16-10(11)12-5)4-8-13-9(15-14-8)6-2-3-6/h6H,2-4H2,1H3,(H2,11,12)(H,13,14,15).
What are the key properties of 5-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-4-methyl-1,3-thiazol-2-amine?
5-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-4-methyl-1,3-thiazol-2-amine has a molecular weight of 235.32 g/mol, XLogP of 1.62, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-4-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 50965994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).