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

C12H16N4S2 — CID 120903108

IUPAC5-[[4-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine
SMILESNc1ncc(CN2CCC(c3nccs3)CC2)s1
InChIInChI=1S/C12H16N4S2/c13-12-15-7-10(18-12)8-16-4-1-9(2-5-16)11-14-3-6-17-11/h3,6-7,9H,1-2,4-5,8H2,(H2,13,15)
InChIKeyYJZBIYCWIIYXFR-UHFFFAOYSA-N
MW280.42 g/mol
LogP2.56
Rot. Bonds3

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

5-[[4-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine (PubChem CID 120903108) has the molecular formula C12H16N4S2 and a molecular weight of 280.42 g/mol. Its IUPAC name is 5-[[4-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[[4-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine
PubChem CID120903108
Molecular FormulaC12H16N4S2
Molecular Weight280.42 g/mol
Exact Mass280.08
IUPAC Name5-[[4-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine
SMILESNc1ncc(CN2CCC(c3nccs3)CC2)s1
InChIInChI=1S/C12H16N4S2/c13-12-15-7-10(18-12)8-16-4-1-9(2-5-16)11-14-3-6-17-11/h3,6-7,9H,1-2,4-5,8H2,(H2,13,15)
InChIKeyYJZBIYCWIIYXFR-UHFFFAOYSA-N
XLogP2.56
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-[[4-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine (CID 120903108) is 5-[[4-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[[4-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-[[4-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine is Nc1ncc(CN2CCC(c3nccs3)CC2)s1.
What is the InChIKey of 5-[[4-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine?
The InChIKey is YJZBIYCWIIYXFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4S2/c13-12-15-7-10(18-12)8-16-4-1-9(2-5-16)11-14-3-6-17-11/h3,6-7,9H,1-2,4-5,8H2,(H2,13,15).
What are the key properties of 5-[[4-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine?
5-[[4-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine has a molecular weight of 280.42 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 120903108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).