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

C23H22N4OS — CID 89427074

IUPACN-(6-methyl-2-pyridinyl)-4-[4-(6-propan-2-yloxy-3-pyridinyl)phenyl]-1,3-thiazol-2-amine
SMILESCc1cccc(Nc2nc(-c3ccc(-c4ccc(OC(C)C)nc4)cc3)cs2)n1
InChIInChI=1S/C23H22N4OS/c1-15(2)28-22-12-11-19(13-24-22)17-7-9-18(10-8-17)20-14-29-23(26-20)27-21-6-4-5-16(3)25-21/h4-15H,1-3H3,(H,25,26,27)
InChIKeyCMLWUTKVQAKKQR-UHFFFAOYSA-N
MW402.52 g/mol
LogP6.11
Rot. Bonds6

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

N-(6-methyl-2-pyridinyl)-4-[4-(6-propan-2-yloxy-3-pyridinyl)phenyl]-1,3-thiazol-2-amine (PubChem CID 89427074) has the molecular formula C23H22N4OS and a molecular weight of 402.52 g/mol. Its IUPAC name is N-(6-methyl-2-pyridinyl)-4-[4-(6-propan-2-yloxy-3-pyridinyl)phenyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(6-methyl-2-pyridinyl)-4-[4-(6-propan-2-yloxy-3-pyridinyl)phenyl]-1,3-thiazol-2-amine
PubChem CID89427074
Molecular FormulaC23H22N4OS
Molecular Weight402.52 g/mol
Exact Mass402.15
IUPAC NameN-(6-methyl-2-pyridinyl)-4-[4-(6-propan-2-yloxy-3-pyridinyl)phenyl]-1,3-thiazol-2-amine
SMILESCc1cccc(Nc2nc(-c3ccc(-c4ccc(OC(C)C)nc4)cc3)cs2)n1
InChIInChI=1S/C23H22N4OS/c1-15(2)28-22-12-11-19(13-24-22)17-7-9-18(10-8-17)20-14-29-23(26-20)27-21-6-4-5-16(3)25-21/h4-15H,1-3H3,(H,25,26,27)
InChIKeyCMLWUTKVQAKKQR-UHFFFAOYSA-N
XLogP6.11
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.52
LogP ≤ 56.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-2-pyridinyl)-4-[4-(6-propan-2-yloxy-3-pyridinyl)phenyl]-1,3-thiazol-2-amine?
The IUPAC name of N-(6-methyl-2-pyridinyl)-4-[4-(6-propan-2-yloxy-3-pyridinyl)phenyl]-1,3-thiazol-2-amine (CID 89427074) is N-(6-methyl-2-pyridinyl)-4-[4-(6-propan-2-yloxy-3-pyridinyl)phenyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-(6-methyl-2-pyridinyl)-4-[4-(6-propan-2-yloxy-3-pyridinyl)phenyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-(6-methyl-2-pyridinyl)-4-[4-(6-propan-2-yloxy-3-pyridinyl)phenyl]-1,3-thiazol-2-amine is Cc1cccc(Nc2nc(-c3ccc(-c4ccc(OC(C)C)nc4)cc3)cs2)n1.
What is the InChIKey of N-(6-methyl-2-pyridinyl)-4-[4-(6-propan-2-yloxy-3-pyridinyl)phenyl]-1,3-thiazol-2-amine?
The InChIKey is CMLWUTKVQAKKQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4OS/c1-15(2)28-22-12-11-19(13-24-22)17-7-9-18(10-8-17)20-14-29-23(26-20)27-21-6-4-5-16(3)25-21/h4-15H,1-3H3,(H,25,26,27).
What are the key properties of N-(6-methyl-2-pyridinyl)-4-[4-(6-propan-2-yloxy-3-pyridinyl)phenyl]-1,3-thiazol-2-amine?
N-(6-methyl-2-pyridinyl)-4-[4-(6-propan-2-yloxy-3-pyridinyl)phenyl]-1,3-thiazol-2-amine has a molecular weight of 402.52 g/mol, XLogP of 6.11, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-2-pyridinyl)-4-[4-(6-propan-2-yloxy-3-pyridinyl)phenyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 89427074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).