azane;4-(4-bromophenyl)-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

C37H36BrN9S2 — CID 89423212

IUPACazane;4-(4-bromophenyl)-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
SMILESCc1cccc(Nc2nc(-c3ccc(-c4ccc(N(C)C)nc4)cc3)cs2)n1.Cc1cccc(Nc2nc(-c3ccc(Br)cc3)cs2)n1.N
InChIInChI=1S/C22H21N5S.C15H12BrN3S.H3N/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;1-10-3-2-4-14(17-10)19-15-18-13(9-20-15)11-5-7-12(16)8-6-11;/h4-14H,1-3H3,(H,24,25,26);2-9H,1H3,(H,17,18,19);1H3
InChIKeyDVQIFDYVWOPEJQ-UHFFFAOYSA-N
MW750.80 g/mol
LogP10.57
Rot. Bonds8

About azane;4-(4-bromophenyl)-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

azane;4-(4-bromophenyl)-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 89423212) has the molecular formula C37H36BrN9S2 and a molecular weight of 750.80 g/mol. Its IUPAC name is azane;4-(4-bromophenyl)-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.

Molecular Properties

Compound Nameazane;4-(4-bromophenyl)-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 CID89423212
Molecular FormulaC37H36BrN9S2
Molecular Weight750.80 g/mol
Exact Mass749.17
IUPAC Nameazane;4-(4-bromophenyl)-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
SMILESCc1cccc(Nc2nc(-c3ccc(-c4ccc(N(C)C)nc4)cc3)cs2)n1.Cc1cccc(Nc2nc(-c3ccc(Br)cc3)cs2)n1.N
InChIInChI=1S/C22H21N5S.C15H12BrN3S.H3N/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;1-10-3-2-4-14(17-10)19-15-18-13(9-20-15)11-5-7-12(16)8-6-11;/h4-14H,1-3H3,(H,24,25,26);2-9H,1H3,(H,17,18,19);1H3
InChIKeyDVQIFDYVWOPEJQ-UHFFFAOYSA-N
XLogP10.57
TPSA126.75 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms49
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500750.80
LogP ≤ 510.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Analyze azane;4-(4-bromophenyl)-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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of azane;4-(4-bromophenyl)-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?
The IUPAC name of azane;4-(4-bromophenyl)-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 (CID 89423212) is azane;4-(4-bromophenyl)-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.
What is the SMILES notation for azane;4-(4-bromophenyl)-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?
The canonical SMILES for azane;4-(4-bromophenyl)-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 is Cc1cccc(Nc2nc(-c3ccc(-c4ccc(N(C)C)nc4)cc3)cs2)n1.Cc1cccc(Nc2nc(-c3ccc(Br)cc3)cs2)n1.N.
What is the InChIKey of azane;4-(4-bromophenyl)-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?
The InChIKey is DVQIFDYVWOPEJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5S.C15H12BrN3S.H3N/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;1-10-3-2-4-14(17-10)19-15-18-13(9-20-15)11-5-7-12(16)8-6-11;/h4-14H,1-3H3,(H,24,25,26);2-9H,1H3,(H,17,18,19);1H3.
What are the key properties of azane;4-(4-bromophenyl)-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?
azane;4-(4-bromophenyl)-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 750.80 g/mol, XLogP of 10.57, 8 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for azane;4-(4-bromophenyl)-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 is sourced from PubChem (CID 89423212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).