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

C21H18N4S — CID 89427070

IUPACN-(6-methyl-2-pyridinyl)-4-[4-(3-methyl-4-pyridinyl)phenyl]-1,3-thiazol-2-amine
SMILESCc1cccc(Nc2nc(-c3ccc(-c4ccncc4C)cc3)cs2)n1
InChIInChI=1S/C21H18N4S/c1-14-12-22-11-10-18(14)16-6-8-17(9-7-16)19-13-26-21(24-19)25-20-5-3-4-15(2)23-20/h3-13H,1-2H3,(H,23,24,25)
InChIKeyIHKSNFNPAAKYEF-UHFFFAOYSA-N
MW358.47 g/mol
LogP5.63
Rot. Bonds4

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

N-(6-methyl-2-pyridinyl)-4-[4-(3-methyl-4-pyridinyl)phenyl]-1,3-thiazol-2-amine (PubChem CID 89427070) has the molecular formula C21H18N4S and a molecular weight of 358.47 g/mol. Its IUPAC name is N-(6-methyl-2-pyridinyl)-4-[4-(3-methyl-4-pyridinyl)phenyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(6-methyl-2-pyridinyl)-4-[4-(3-methyl-4-pyridinyl)phenyl]-1,3-thiazol-2-amine
PubChem CID89427070
Molecular FormulaC21H18N4S
Molecular Weight358.47 g/mol
Exact Mass358.13
IUPAC NameN-(6-methyl-2-pyridinyl)-4-[4-(3-methyl-4-pyridinyl)phenyl]-1,3-thiazol-2-amine
SMILESCc1cccc(Nc2nc(-c3ccc(-c4ccncc4C)cc3)cs2)n1
InChIInChI=1S/C21H18N4S/c1-14-12-22-11-10-18(14)16-6-8-17(9-7-16)19-13-26-21(24-19)25-20-5-3-4-15(2)23-20/h3-13H,1-2H3,(H,23,24,25)
InChIKeyIHKSNFNPAAKYEF-UHFFFAOYSA-N
XLogP5.63
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.47
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-2-pyridinyl)-4-[4-(3-methyl-4-pyridinyl)phenyl]-1,3-thiazol-2-amine?
The IUPAC name of N-(6-methyl-2-pyridinyl)-4-[4-(3-methyl-4-pyridinyl)phenyl]-1,3-thiazol-2-amine (CID 89427070) is N-(6-methyl-2-pyridinyl)-4-[4-(3-methyl-4-pyridinyl)phenyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-(6-methyl-2-pyridinyl)-4-[4-(3-methyl-4-pyridinyl)phenyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-(6-methyl-2-pyridinyl)-4-[4-(3-methyl-4-pyridinyl)phenyl]-1,3-thiazol-2-amine is Cc1cccc(Nc2nc(-c3ccc(-c4ccncc4C)cc3)cs2)n1.
What is the InChIKey of N-(6-methyl-2-pyridinyl)-4-[4-(3-methyl-4-pyridinyl)phenyl]-1,3-thiazol-2-amine?
The InChIKey is IHKSNFNPAAKYEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4S/c1-14-12-22-11-10-18(14)16-6-8-17(9-7-16)19-13-26-21(24-19)25-20-5-3-4-15(2)23-20/h3-13H,1-2H3,(H,23,24,25).
What are the key properties of N-(6-methyl-2-pyridinyl)-4-[4-(3-methyl-4-pyridinyl)phenyl]-1,3-thiazol-2-amine?
N-(6-methyl-2-pyridinyl)-4-[4-(3-methyl-4-pyridinyl)phenyl]-1,3-thiazol-2-amine has a molecular weight of 358.47 g/mol, XLogP of 5.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-2-pyridinyl)-4-[4-(3-methyl-4-pyridinyl)phenyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 89427070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).