N-(6-methyl-2-pyridinyl)-4-(4-phenylphenyl)-1,3-thiazol-2-amine

C21H17N3S — CID 71509513

IUPACN-(6-methyl-2-pyridinyl)-4-(4-phenylphenyl)-1,3-thiazol-2-amine
SMILESCc1cccc(Nc2nc(-c3ccc(-c4ccccc4)cc3)cs2)n1
InChIInChI=1S/C21H17N3S/c1-15-6-5-9-20(22-15)24-21-23-19(14-25-21)18-12-10-17(11-13-18)16-7-3-2-4-8-16/h2-14H,1H3,(H,22,23,24)
InChIKeyFDBBOBMQYVUQMF-UHFFFAOYSA-N
MW343.46 g/mol
LogP5.92
Rot. Bonds4

About N-(6-methyl-2-pyridinyl)-4-(4-phenylphenyl)-1,3-thiazol-2-amine

N-(6-methyl-2-pyridinyl)-4-(4-phenylphenyl)-1,3-thiazol-2-amine (PubChem CID 71509513) has the molecular formula C21H17N3S and a molecular weight of 343.46 g/mol. Its IUPAC name is N-(6-methyl-2-pyridinyl)-4-(4-phenylphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(6-methyl-2-pyridinyl)-4-(4-phenylphenyl)-1,3-thiazol-2-amine
PubChem CID71509513
Molecular FormulaC21H17N3S
Molecular Weight343.46 g/mol
Exact Mass343.11
IUPAC NameN-(6-methyl-2-pyridinyl)-4-(4-phenylphenyl)-1,3-thiazol-2-amine
SMILESCc1cccc(Nc2nc(-c3ccc(-c4ccccc4)cc3)cs2)n1
InChIInChI=1S/C21H17N3S/c1-15-6-5-9-20(22-15)24-21-23-19(14-25-21)18-12-10-17(11-13-18)16-7-3-2-4-8-16/h2-14H,1H3,(H,22,23,24)
InChIKeyFDBBOBMQYVUQMF-UHFFFAOYSA-N
XLogP5.92
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.46
LogP ≤ 55.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-2-pyridinyl)-4-(4-phenylphenyl)-1,3-thiazol-2-amine?
The IUPAC name of N-(6-methyl-2-pyridinyl)-4-(4-phenylphenyl)-1,3-thiazol-2-amine (CID 71509513) is N-(6-methyl-2-pyridinyl)-4-(4-phenylphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-(6-methyl-2-pyridinyl)-4-(4-phenylphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-(6-methyl-2-pyridinyl)-4-(4-phenylphenyl)-1,3-thiazol-2-amine is Cc1cccc(Nc2nc(-c3ccc(-c4ccccc4)cc3)cs2)n1.
What is the InChIKey of N-(6-methyl-2-pyridinyl)-4-(4-phenylphenyl)-1,3-thiazol-2-amine?
The InChIKey is FDBBOBMQYVUQMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3S/c1-15-6-5-9-20(22-15)24-21-23-19(14-25-21)18-12-10-17(11-13-18)16-7-3-2-4-8-16/h2-14H,1H3,(H,22,23,24).
What are the key properties of N-(6-methyl-2-pyridinyl)-4-(4-phenylphenyl)-1,3-thiazol-2-amine?
N-(6-methyl-2-pyridinyl)-4-(4-phenylphenyl)-1,3-thiazol-2-amine has a molecular weight of 343.46 g/mol, XLogP of 5.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-2-pyridinyl)-4-(4-phenylphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 71509513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).