4-[2-[3-(dimethylamino)propoxy]-4-pyridinyl]-N-(3-methylphenyl)-1,3-thiazol-2-amine

C20H24N4OS — CID 56670217

IUPAC4-[2-[3-(dimethylamino)propoxy]-4-pyridinyl]-N-(3-methylphenyl)-1,3-thiazol-2-amine
SMILESCc1cccc(Nc2nc(-c3ccnc(OCCCN(C)C)c3)cs2)c1
InChIInChI=1S/C20H24N4OS/c1-15-6-4-7-17(12-15)22-20-23-18(14-26-20)16-8-9-21-19(13-16)25-11-5-10-24(2)3/h4,6-9,12-14H,5,10-11H2,1-3H3,(H,22,23)
InChIKeyWQDCZOOCHFYVOC-UHFFFAOYSA-N
MW368.51 g/mol
LogP4.59
Rot. Bonds8

About 4-[2-[3-(dimethylamino)propoxy]-4-pyridinyl]-N-(3-methylphenyl)-1,3-thiazol-2-amine

4-[2-[3-(dimethylamino)propoxy]-4-pyridinyl]-N-(3-methylphenyl)-1,3-thiazol-2-amine (PubChem CID 56670217) has the molecular formula C20H24N4OS and a molecular weight of 368.51 g/mol. Its IUPAC name is 4-[2-[3-(dimethylamino)propoxy]-4-pyridinyl]-N-(3-methylphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[2-[3-(dimethylamino)propoxy]-4-pyridinyl]-N-(3-methylphenyl)-1,3-thiazol-2-amine
PubChem CID56670217
Molecular FormulaC20H24N4OS
Molecular Weight368.51 g/mol
Exact Mass368.17
IUPAC Name4-[2-[3-(dimethylamino)propoxy]-4-pyridinyl]-N-(3-methylphenyl)-1,3-thiazol-2-amine
SMILESCc1cccc(Nc2nc(-c3ccnc(OCCCN(C)C)c3)cs2)c1
InChIInChI=1S/C20H24N4OS/c1-15-6-4-7-17(12-15)22-20-23-18(14-26-20)16-8-9-21-19(13-16)25-11-5-10-24(2)3/h4,6-9,12-14H,5,10-11H2,1-3H3,(H,22,23)
InChIKeyWQDCZOOCHFYVOC-UHFFFAOYSA-N
XLogP4.59
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.51
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 4-[2-[3-(dimethylamino)propoxy]-4-pyridinyl]-N-(3-methylphenyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-[2-[3-(dimethylamino)propoxy]-4-pyridinyl]-N-(3-methylphenyl)-1,3-thiazol-2-amine (CID 56670217) is 4-[2-[3-(dimethylamino)propoxy]-4-pyridinyl]-N-(3-methylphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[2-[3-(dimethylamino)propoxy]-4-pyridinyl]-N-(3-methylphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-[2-[3-(dimethylamino)propoxy]-4-pyridinyl]-N-(3-methylphenyl)-1,3-thiazol-2-amine is Cc1cccc(Nc2nc(-c3ccnc(OCCCN(C)C)c3)cs2)c1.
What is the InChIKey of 4-[2-[3-(dimethylamino)propoxy]-4-pyridinyl]-N-(3-methylphenyl)-1,3-thiazol-2-amine?
The InChIKey is WQDCZOOCHFYVOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4OS/c1-15-6-4-7-17(12-15)22-20-23-18(14-26-20)16-8-9-21-19(13-16)25-11-5-10-24(2)3/h4,6-9,12-14H,5,10-11H2,1-3H3,(H,22,23).
What are the key properties of 4-[2-[3-(dimethylamino)propoxy]-4-pyridinyl]-N-(3-methylphenyl)-1,3-thiazol-2-amine?
4-[2-[3-(dimethylamino)propoxy]-4-pyridinyl]-N-(3-methylphenyl)-1,3-thiazol-2-amine has a molecular weight of 368.51 g/mol, XLogP of 4.59, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3-(dimethylamino)propoxy]-4-pyridinyl]-N-(3-methylphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 56670217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).