5-[[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine

C13H15Cl2N5S — CID 120898251

IUPAC5-[[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine
SMILESNc1ncc(CN2CCN(c3ncc(Cl)cc3Cl)CC2)s1
InChIInChI=1S/C13H15Cl2N5S/c14-9-5-11(15)12(17-6-9)20-3-1-19(2-4-20)8-10-7-18-13(16)21-10/h5-7H,1-4,8H2,(H2,16,18)
InChIKeyOSMOIWMECNWEDD-UHFFFAOYSA-N
MW344.27 g/mol
LogP2.75
Rot. Bonds3

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

5-[[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine (PubChem CID 120898251) has the molecular formula C13H15Cl2N5S and a molecular weight of 344.27 g/mol. Its IUPAC name is 5-[[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine
PubChem CID120898251
Molecular FormulaC13H15Cl2N5S
Molecular Weight344.27 g/mol
Exact Mass343.04
IUPAC Name5-[[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine
SMILESNc1ncc(CN2CCN(c3ncc(Cl)cc3Cl)CC2)s1
InChIInChI=1S/C13H15Cl2N5S/c14-9-5-11(15)12(17-6-9)20-3-1-19(2-4-20)8-10-7-18-13(16)21-10/h5-7H,1-4,8H2,(H2,16,18)
InChIKeyOSMOIWMECNWEDD-UHFFFAOYSA-N
XLogP2.75
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.27
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-[[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine (CID 120898251) is 5-[[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-[[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine is Nc1ncc(CN2CCN(c3ncc(Cl)cc3Cl)CC2)s1.
What is the InChIKey of 5-[[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine?
The InChIKey is OSMOIWMECNWEDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2N5S/c14-9-5-11(15)12(17-6-9)20-3-1-19(2-4-20)8-10-7-18-13(16)21-10/h5-7H,1-4,8H2,(H2,16,18).
What are the key properties of 5-[[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine?
5-[[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine has a molecular weight of 344.27 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 120898251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).