4-[4-[2-(2-iminopropoxy)-4-pyridinyl]phenyl]-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine

C23H21N5OS — CID 123783365

IUPAC4-[4-[2-(2-iminopropoxy)-4-pyridinyl]phenyl]-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine
SMILES[H]/N=C(\C)COc1cc(-c2ccc(-c3csc(Nc4cccc(C)n4)n3)cc2)ccn1
InChIInChI=1S/C23H21N5OS/c1-15(24)13-29-22-12-19(10-11-25-22)17-6-8-18(9-7-17)20-14-30-23(27-20)28-21-5-3-4-16(2)26-21/h3-12,14,24H,13H2,1-2H3,(H,26,27,28)/b24-15+
InChIKeyLLJOHKADTIASCF-BUVRLJJBSA-N
MW415.52 g/mol
LogP5.74
Rot. Bonds7

About 4-[4-[2-(2-iminopropoxy)-4-pyridinyl]phenyl]-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine

4-[4-[2-(2-iminopropoxy)-4-pyridinyl]phenyl]-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine (PubChem CID 123783365) has the molecular formula C23H21N5OS and a molecular weight of 415.52 g/mol. Its IUPAC name is 4-[4-[2-(2-iminopropoxy)-4-pyridinyl]phenyl]-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[4-[2-(2-iminopropoxy)-4-pyridinyl]phenyl]-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine
PubChem CID123783365
Molecular FormulaC23H21N5OS
Molecular Weight415.52 g/mol
Exact Mass415.15
IUPAC Name4-[4-[2-(2-iminopropoxy)-4-pyridinyl]phenyl]-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine
SMILES[H]/N=C(\C)COc1cc(-c2ccc(-c3csc(Nc4cccc(C)n4)n3)cc2)ccn1
InChIInChI=1S/C23H21N5OS/c1-15(24)13-29-22-12-19(10-11-25-22)17-6-8-18(9-7-17)20-14-30-23(27-20)28-21-5-3-4-16(2)26-21/h3-12,14,24H,13H2,1-2H3,(H,26,27,28)/b24-15+
InChIKeyLLJOHKADTIASCF-BUVRLJJBSA-N
XLogP5.74
TPSA83.78 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.52
LogP ≤ 55.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 4-[4-[2-(2-iminopropoxy)-4-pyridinyl]phenyl]-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine with MolForge

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Related Compounds

N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]pyridin-2-amine
CID 786894
N-(6-methoxypyridin-2-yl)-5-phenyl-1,3-thiazol-2-amine
CID 5329399
2-{3-[3-(Piperidin-4-Yl)propoxy]phenyl}-N-[4-(Pyridin-4-Yl)-1,3-Thiazol-2-Yl]acetamide
CID 60097413
N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-5-methylpyridin-2-amine
CID 1092442
3-(Benzyloxy)-N-(4-Methyl-1,3-Thiazol-2-Yl)pyridin-2-Amine
CID 16660015
2-(2-(4-Methylthiazol-2-ylamino)pyridin-3-yloxy)benzonitrile
CID 16752714
3-(Benzyloxy)-5-Methyl-N-(4-Methyl-1,3-Thiazol-2-Yl)pyridin-2-Amine
CID 59225669
(4-Ethoxy-phenyl)-(4-pyridin-3-yl-thiazol-2-yl)-amine
CID 869831
Acetic acid 4-[2-(pyridin-2-ylamino)-thiazol-4-yl]-phenyl ester
CID 972354
[4-(4-Methoxy-phenyl)-thiazol-2-yl]-(3-methyl-pyridin-2-yl)-amine
CID 972796
[4-(3,4-Dimethoxy-phenyl)-thiazol-2-yl]-(4-methyl-pyridin-2-yl)-amine
CID 2877445
3-(Benzyloxy)-5-bromo-N-(4-methylthiazol-2-yl)pyridin-2-amine
CID 16061466

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(2-iminopropoxy)-4-pyridinyl]phenyl]-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-[4-[2-(2-iminopropoxy)-4-pyridinyl]phenyl]-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine (CID 123783365) is 4-[4-[2-(2-iminopropoxy)-4-pyridinyl]phenyl]-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[4-[2-(2-iminopropoxy)-4-pyridinyl]phenyl]-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-[4-[2-(2-iminopropoxy)-4-pyridinyl]phenyl]-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine is [H]/N=C(\C)COc1cc(-c2ccc(-c3csc(Nc4cccc(C)n4)n3)cc2)ccn1.
What is the InChIKey of 4-[4-[2-(2-iminopropoxy)-4-pyridinyl]phenyl]-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine?
The InChIKey is LLJOHKADTIASCF-BUVRLJJBSA-N. The full InChI is InChI=1S/C23H21N5OS/c1-15(24)13-29-22-12-19(10-11-25-22)17-6-8-18(9-7-17)20-14-30-23(27-20)28-21-5-3-4-16(2)26-21/h3-12,14,24H,13H2,1-2H3,(H,26,27,28)/b24-15+.
What are the key properties of 4-[4-[2-(2-iminopropoxy)-4-pyridinyl]phenyl]-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine?
4-[4-[2-(2-iminopropoxy)-4-pyridinyl]phenyl]-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine has a molecular weight of 415.52 g/mol, XLogP of 5.74, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(2-iminopropoxy)-4-pyridinyl]phenyl]-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 123783365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).