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

C22H21N5S — CID 89423213

IUPAC4-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine
SMILESCc1cccc(Nc2nc(-c3ccc(-c4ccc(N(C)C)nc4)cc3)cs2)n1
InChIInChI=1S/C22H21N5S/c1-15-5-4-6-20(24-15)26-22-25-19(14-28-22)17-9-7-16(8-10-17)18-11-12-21(23-13-18)27(2)3/h4-14H,1-3H3,(H,24,25,26)
InChIKeyNTSGHYPXGWAVRV-UHFFFAOYSA-N
MW387.51 g/mol
LogP5.39
Rot. Bonds5

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

4-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine (PubChem CID 89423213) has the molecular formula C22H21N5S and a molecular weight of 387.51 g/mol. Its IUPAC name is 4-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine
PubChem CID89423213
Molecular FormulaC22H21N5S
Molecular Weight387.51 g/mol
Exact Mass387.15
IUPAC Name4-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine
SMILESCc1cccc(Nc2nc(-c3ccc(-c4ccc(N(C)C)nc4)cc3)cs2)n1
InChIInChI=1S/C22H21N5S/c1-15-5-4-6-20(24-15)26-22-25-19(14-28-22)17-9-7-16(8-10-17)18-11-12-21(23-13-18)27(2)3/h4-14H,1-3H3,(H,24,25,26)
InChIKeyNTSGHYPXGWAVRV-UHFFFAOYSA-N
XLogP5.39
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.51
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine (CID 89423213) is 4-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine is Cc1cccc(Nc2nc(-c3ccc(-c4ccc(N(C)C)nc4)cc3)cs2)n1.
What is the InChIKey of 4-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine?
The InChIKey is NTSGHYPXGWAVRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5S/c1-15-5-4-6-20(24-15)26-22-25-19(14-28-22)17-9-7-16(8-10-17)18-11-12-21(23-13-18)27(2)3/h4-14H,1-3H3,(H,24,25,26).
What are the key properties of 4-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine?
4-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine has a molecular weight of 387.51 g/mol, XLogP of 5.39, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 89423213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).