5-[4-methyl-2-(4-methylpiperidin-1-yl)-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine

C12H17N5S2 — CID 82427932

IUPAC5-[4-methyl-2-(4-methylpiperidin-1-yl)-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine
SMILESCc1nc(N2CCC(C)CC2)sc1-c1nnc(N)s1
InChIInChI=1S/C12H17N5S2/c1-7-3-5-17(6-4-7)12-14-8(2)9(18-12)10-15-16-11(13)19-10/h7H,3-6H2,1-2H3,(H2,13,16)
InChIKeyMHMBQPJBYDYMNE-UHFFFAOYSA-N
MW295.44 g/mol
LogP2.79
Rot. Bonds2

About 5-[4-methyl-2-(4-methylpiperidin-1-yl)-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine

5-[4-methyl-2-(4-methylpiperidin-1-yl)-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine (PubChem CID 82427932) has the molecular formula C12H17N5S2 and a molecular weight of 295.44 g/mol. Its IUPAC name is 5-[4-methyl-2-(4-methylpiperidin-1-yl)-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[4-methyl-2-(4-methylpiperidin-1-yl)-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine
PubChem CID82427932
Molecular FormulaC12H17N5S2
Molecular Weight295.44 g/mol
Exact Mass295.09
IUPAC Name5-[4-methyl-2-(4-methylpiperidin-1-yl)-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine
SMILESCc1nc(N2CCC(C)CC2)sc1-c1nnc(N)s1
InChIInChI=1S/C12H17N5S2/c1-7-3-5-17(6-4-7)12-14-8(2)9(18-12)10-15-16-11(13)19-10/h7H,3-6H2,1-2H3,(H2,13,16)
InChIKeyMHMBQPJBYDYMNE-UHFFFAOYSA-N
XLogP2.79
TPSA67.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.44
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[4-methyl-2-(4-methylpiperidin-1-yl)-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[4-methyl-2-(4-methylpiperidin-1-yl)-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine (CID 82427932) is 5-[4-methyl-2-(4-methylpiperidin-1-yl)-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[4-methyl-2-(4-methylpiperidin-1-yl)-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[4-methyl-2-(4-methylpiperidin-1-yl)-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine is Cc1nc(N2CCC(C)CC2)sc1-c1nnc(N)s1.
What is the InChIKey of 5-[4-methyl-2-(4-methylpiperidin-1-yl)-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine?
The InChIKey is MHMBQPJBYDYMNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5S2/c1-7-3-5-17(6-4-7)12-14-8(2)9(18-12)10-15-16-11(13)19-10/h7H,3-6H2,1-2H3,(H2,13,16).
What are the key properties of 5-[4-methyl-2-(4-methylpiperidin-1-yl)-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine?
5-[4-methyl-2-(4-methylpiperidin-1-yl)-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine has a molecular weight of 295.44 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-methyl-2-(4-methylpiperidin-1-yl)-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 82427932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).