N-(5-hexyl-2-pyridinyl)-4-pyridin-2-yl-1,3-thiazol-2-amine;dihydrochloride

C19H24Cl2N4S — CID 87790767

IUPACN-(5-hexyl-2-pyridinyl)-4-pyridin-2-yl-1,3-thiazol-2-amine;dihydrochloride
SMILESCCCCCCc1ccc(Nc2nc(-c3ccccn3)cs2)nc1.Cl.Cl
InChIInChI=1S/C19H22N4S.2ClH/c1-2-3-4-5-8-15-10-11-18(21-13-15)23-19-22-17(14-24-19)16-9-6-7-12-20-16;;/h6-7,9-14H,2-5,8H2,1H3,(H,21,22,23);2*1H
InChIKeyKJOOVOPMEJNUBR-UHFFFAOYSA-N
MW411.40 g/mol
LogP6.31
Rot. Bonds8

About N-(5-hexyl-2-pyridinyl)-4-pyridin-2-yl-1,3-thiazol-2-amine;dihydrochloride

N-(5-hexyl-2-pyridinyl)-4-pyridin-2-yl-1,3-thiazol-2-amine;dihydrochloride (PubChem CID 87790767) has the molecular formula C19H24Cl2N4S and a molecular weight of 411.40 g/mol. Its IUPAC name is N-(5-hexyl-2-pyridinyl)-4-pyridin-2-yl-1,3-thiazol-2-amine;dihydrochloride.

Molecular Properties

Compound NameN-(5-hexyl-2-pyridinyl)-4-pyridin-2-yl-1,3-thiazol-2-amine;dihydrochloride
PubChem CID87790767
Molecular FormulaC19H24Cl2N4S
Molecular Weight411.40 g/mol
Exact Mass410.11
IUPAC NameN-(5-hexyl-2-pyridinyl)-4-pyridin-2-yl-1,3-thiazol-2-amine;dihydrochloride
SMILESCCCCCCc1ccc(Nc2nc(-c3ccccn3)cs2)nc1.Cl.Cl
InChIInChI=1S/C19H22N4S.2ClH/c1-2-3-4-5-8-15-10-11-18(21-13-15)23-19-22-17(14-24-19)16-9-6-7-12-20-16;;/h6-7,9-14H,2-5,8H2,1H3,(H,21,22,23);2*1H
InChIKeyKJOOVOPMEJNUBR-UHFFFAOYSA-N
XLogP6.31
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.40
LogP ≤ 56.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(5-hexyl-2-pyridinyl)-4-pyridin-2-yl-1,3-thiazol-2-amine;dihydrochloride?
The IUPAC name of N-(5-hexyl-2-pyridinyl)-4-pyridin-2-yl-1,3-thiazol-2-amine;dihydrochloride (CID 87790767) is N-(5-hexyl-2-pyridinyl)-4-pyridin-2-yl-1,3-thiazol-2-amine;dihydrochloride.
What is the SMILES notation for N-(5-hexyl-2-pyridinyl)-4-pyridin-2-yl-1,3-thiazol-2-amine;dihydrochloride?
The canonical SMILES for N-(5-hexyl-2-pyridinyl)-4-pyridin-2-yl-1,3-thiazol-2-amine;dihydrochloride is CCCCCCc1ccc(Nc2nc(-c3ccccn3)cs2)nc1.Cl.Cl.
What is the InChIKey of N-(5-hexyl-2-pyridinyl)-4-pyridin-2-yl-1,3-thiazol-2-amine;dihydrochloride?
The InChIKey is KJOOVOPMEJNUBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4S.2ClH/c1-2-3-4-5-8-15-10-11-18(21-13-15)23-19-22-17(14-24-19)16-9-6-7-12-20-16;;/h6-7,9-14H,2-5,8H2,1H3,(H,21,22,23);2*1H.
What are the key properties of N-(5-hexyl-2-pyridinyl)-4-pyridin-2-yl-1,3-thiazol-2-amine;dihydrochloride?
N-(5-hexyl-2-pyridinyl)-4-pyridin-2-yl-1,3-thiazol-2-amine;dihydrochloride has a molecular weight of 411.40 g/mol, XLogP of 6.31, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hexyl-2-pyridinyl)-4-pyridin-2-yl-1,3-thiazol-2-amine;dihydrochloride is sourced from PubChem (CID 87790767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).