[5-chloro-6-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-3-pyridinyl]methanamine

C13H16ClN5S — CID 62298416

IUPAC[5-chloro-6-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-3-pyridinyl]methanamine
SMILESNCc1cnc(N2CCN(c3nccs3)CC2)c(Cl)c1
InChIInChI=1S/C13H16ClN5S/c14-11-7-10(8-15)9-17-12(11)18-2-4-19(5-3-18)13-16-1-6-20-13/h1,6-7,9H,2-5,8,15H2
InChIKeyKWZGMXVHTLELBA-UHFFFAOYSA-N
MW309.83 g/mol
LogP1.98
Rot. Bonds3

About [5-chloro-6-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-3-pyridinyl]methanamine

[5-chloro-6-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-3-pyridinyl]methanamine (PubChem CID 62298416) has the molecular formula C13H16ClN5S and a molecular weight of 309.83 g/mol. Its IUPAC name is [5-chloro-6-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[5-chloro-6-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-3-pyridinyl]methanamine
PubChem CID62298416
Molecular FormulaC13H16ClN5S
Molecular Weight309.83 g/mol
Exact Mass309.08
IUPAC Name[5-chloro-6-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-3-pyridinyl]methanamine
SMILESNCc1cnc(N2CCN(c3nccs3)CC2)c(Cl)c1
InChIInChI=1S/C13H16ClN5S/c14-11-7-10(8-15)9-17-12(11)18-2-4-19(5-3-18)13-16-1-6-20-13/h1,6-7,9H,2-5,8,15H2
InChIKeyKWZGMXVHTLELBA-UHFFFAOYSA-N
XLogP1.98
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.83
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [5-chloro-6-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-3-pyridinyl]methanamine?
The IUPAC name of [5-chloro-6-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-3-pyridinyl]methanamine (CID 62298416) is [5-chloro-6-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-3-pyridinyl]methanamine.
What is the SMILES notation for [5-chloro-6-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-3-pyridinyl]methanamine?
The canonical SMILES for [5-chloro-6-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-3-pyridinyl]methanamine is NCc1cnc(N2CCN(c3nccs3)CC2)c(Cl)c1.
What is the InChIKey of [5-chloro-6-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-3-pyridinyl]methanamine?
The InChIKey is KWZGMXVHTLELBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN5S/c14-11-7-10(8-15)9-17-12(11)18-2-4-19(5-3-18)13-16-1-6-20-13/h1,6-7,9H,2-5,8,15H2.
What are the key properties of [5-chloro-6-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-3-pyridinyl]methanamine?
[5-chloro-6-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-3-pyridinyl]methanamine has a molecular weight of 309.83 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-6-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-3-pyridinyl]methanamine is sourced from PubChem (CID 62298416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).