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

C34H29BrN8S2 — CID 89423054

IUPAC4-(4-bromophenyl)-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine;4-[4-(2-methylpyrazol-3-yl)phenyl]-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine
SMILESCc1cccc(Nc2nc(-c3ccc(-c4ccnn4C)cc3)cs2)n1.Cc1cccc(Nc2nc(-c3ccc(Br)cc3)cs2)n1
InChIInChI=1S/C19H17N5S.C15H12BrN3S/c1-13-4-3-5-18(21-13)23-19-22-16(12-25-19)14-6-8-15(9-7-14)17-10-11-20-24(17)2;1-10-3-2-4-14(17-10)19-15-18-13(9-20-15)11-5-7-12(16)8-6-11/h3-12H,1-2H3,(H,21,22,23);2-9H,1H3,(H,17,18,19)
InChIKeyMJSIFSSMXHFINP-UHFFFAOYSA-N
MW693.70 g/mol
LogP9.68
Rot. Bonds7

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

4-(4-bromophenyl)-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine;4-[4-(2-methylpyrazol-3-yl)phenyl]-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine (PubChem CID 89423054) has the molecular formula C34H29BrN8S2 and a molecular weight of 693.70 g/mol. Its IUPAC name is 4-(4-bromophenyl)-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine;4-[4-(2-methylpyrazol-3-yl)phenyl]-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(4-bromophenyl)-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine;4-[4-(2-methylpyrazol-3-yl)phenyl]-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine
PubChem CID89423054
Molecular FormulaC34H29BrN8S2
Molecular Weight693.70 g/mol
Exact Mass692.11
IUPAC Name4-(4-bromophenyl)-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine;4-[4-(2-methylpyrazol-3-yl)phenyl]-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine
SMILESCc1cccc(Nc2nc(-c3ccc(-c4ccnn4C)cc3)cs2)n1.Cc1cccc(Nc2nc(-c3ccc(Br)cc3)cs2)n1
InChIInChI=1S/C19H17N5S.C15H12BrN3S/c1-13-4-3-5-18(21-13)23-19-22-16(12-25-19)14-6-8-15(9-7-14)17-10-11-20-24(17)2;1-10-3-2-4-14(17-10)19-15-18-13(9-20-15)11-5-7-12(16)8-6-11/h3-12H,1-2H3,(H,21,22,23);2-9H,1H3,(H,17,18,19)
InChIKeyMJSIFSSMXHFINP-UHFFFAOYSA-N
XLogP9.68
TPSA93.44 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500693.70
LogP ≤ 59.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine;4-[4-(2-methylpyrazol-3-yl)phenyl]-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(4-bromophenyl)-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine;4-[4-(2-methylpyrazol-3-yl)phenyl]-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine (CID 89423054) is 4-(4-bromophenyl)-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine;4-[4-(2-methylpyrazol-3-yl)phenyl]-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(4-bromophenyl)-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine;4-[4-(2-methylpyrazol-3-yl)phenyl]-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(4-bromophenyl)-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine;4-[4-(2-methylpyrazol-3-yl)phenyl]-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine is Cc1cccc(Nc2nc(-c3ccc(-c4ccnn4C)cc3)cs2)n1.Cc1cccc(Nc2nc(-c3ccc(Br)cc3)cs2)n1.
What is the InChIKey of 4-(4-bromophenyl)-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine;4-[4-(2-methylpyrazol-3-yl)phenyl]-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine?
The InChIKey is MJSIFSSMXHFINP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5S.C15H12BrN3S/c1-13-4-3-5-18(21-13)23-19-22-16(12-25-19)14-6-8-15(9-7-14)17-10-11-20-24(17)2;1-10-3-2-4-14(17-10)19-15-18-13(9-20-15)11-5-7-12(16)8-6-11/h3-12H,1-2H3,(H,21,22,23);2-9H,1H3,(H,17,18,19).
What are the key properties of 4-(4-bromophenyl)-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine;4-[4-(2-methylpyrazol-3-yl)phenyl]-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine?
4-(4-bromophenyl)-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine;4-[4-(2-methylpyrazol-3-yl)phenyl]-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine has a molecular weight of 693.70 g/mol, XLogP of 9.68, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine;4-[4-(2-methylpyrazol-3-yl)phenyl]-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 89423054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).