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

C12H18N6S — CID 102800545

IUPAC[1-[5-(4-methyl-1,3-thiazol-5-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methanamine
SMILESCc1ncsc1-c1nc(N2CCC(CN)CC2)n[nH]1
InChIInChI=1S/C12H18N6S/c1-8-10(19-7-14-8)11-15-12(17-16-11)18-4-2-9(6-13)3-5-18/h7,9H,2-6,13H2,1H3,(H,15,16,17)
InChIKeySNCPEDZGNVEVQO-UHFFFAOYSA-N
MW278.38 g/mol
LogP1.41
Rot. Bonds3

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

[1-[5-(4-methyl-1,3-thiazol-5-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methanamine (PubChem CID 102800545) has the molecular formula C12H18N6S and a molecular weight of 278.38 g/mol. Its IUPAC name is [1-[5-(4-methyl-1,3-thiazol-5-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methanamine.

Molecular Properties

Compound Name[1-[5-(4-methyl-1,3-thiazol-5-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methanamine
PubChem CID102800545
Molecular FormulaC12H18N6S
Molecular Weight278.38 g/mol
Exact Mass278.13
IUPAC Name[1-[5-(4-methyl-1,3-thiazol-5-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methanamine
SMILESCc1ncsc1-c1nc(N2CCC(CN)CC2)n[nH]1
InChIInChI=1S/C12H18N6S/c1-8-10(19-7-14-8)11-15-12(17-16-11)18-4-2-9(6-13)3-5-18/h7,9H,2-6,13H2,1H3,(H,15,16,17)
InChIKeySNCPEDZGNVEVQO-UHFFFAOYSA-N
XLogP1.41
TPSA83.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-[5-(4-methyl-1,3-thiazol-5-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methanamine?
The IUPAC name of [1-[5-(4-methyl-1,3-thiazol-5-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methanamine (CID 102800545) is [1-[5-(4-methyl-1,3-thiazol-5-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methanamine.
What is the SMILES notation for [1-[5-(4-methyl-1,3-thiazol-5-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methanamine?
The canonical SMILES for [1-[5-(4-methyl-1,3-thiazol-5-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methanamine is Cc1ncsc1-c1nc(N2CCC(CN)CC2)n[nH]1.
What is the InChIKey of [1-[5-(4-methyl-1,3-thiazol-5-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methanamine?
The InChIKey is SNCPEDZGNVEVQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6S/c1-8-10(19-7-14-8)11-15-12(17-16-11)18-4-2-9(6-13)3-5-18/h7,9H,2-6,13H2,1H3,(H,15,16,17).
What are the key properties of [1-[5-(4-methyl-1,3-thiazol-5-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methanamine?
[1-[5-(4-methyl-1,3-thiazol-5-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methanamine has a molecular weight of 278.38 g/mol, XLogP of 1.41, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[5-(4-methyl-1,3-thiazol-5-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methanamine is sourced from PubChem (CID 102800545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).