5-(6-bromo-2-pyridinyl)-2-N-(3,4,5-trimethoxyphenyl)-1,3-thiazole-2,4-diamine

C17H17BrN4O3S — CID 22993936

IUPAC5-(6-bromo-2-pyridinyl)-2-N-(3,4,5-trimethoxyphenyl)-1,3-thiazole-2,4-diamine
SMILESCOc1cc(Nc2nc(N)c(-c3cccc(Br)n3)s2)cc(OC)c1OC
InChIInChI=1S/C17H17BrN4O3S/c1-23-11-7-9(8-12(24-2)14(11)25-3)20-17-22-16(19)15(26-17)10-5-4-6-13(18)21-10/h4-8H,19H2,1-3H3,(H,20,22)
InChIKeyHRSFRTHRNQEVAS-UHFFFAOYSA-N
MW437.32 g/mol
LogP4.32
Rot. Bonds6

About 5-(6-bromo-2-pyridinyl)-2-N-(3,4,5-trimethoxyphenyl)-1,3-thiazole-2,4-diamine

5-(6-bromo-2-pyridinyl)-2-N-(3,4,5-trimethoxyphenyl)-1,3-thiazole-2,4-diamine (PubChem CID 22993936) has the molecular formula C17H17BrN4O3S and a molecular weight of 437.32 g/mol. Its IUPAC name is 5-(6-bromo-2-pyridinyl)-2-N-(3,4,5-trimethoxyphenyl)-1,3-thiazole-2,4-diamine.

Molecular Properties

Compound Name5-(6-bromo-2-pyridinyl)-2-N-(3,4,5-trimethoxyphenyl)-1,3-thiazole-2,4-diamine
PubChem CID22993936
Molecular FormulaC17H17BrN4O3S
Molecular Weight437.32 g/mol
Exact Mass436.02
IUPAC Name5-(6-bromo-2-pyridinyl)-2-N-(3,4,5-trimethoxyphenyl)-1,3-thiazole-2,4-diamine
SMILESCOc1cc(Nc2nc(N)c(-c3cccc(Br)n3)s2)cc(OC)c1OC
InChIInChI=1S/C17H17BrN4O3S/c1-23-11-7-9(8-12(24-2)14(11)25-3)20-17-22-16(19)15(26-17)10-5-4-6-13(18)21-10/h4-8H,19H2,1-3H3,(H,20,22)
InChIKeyHRSFRTHRNQEVAS-UHFFFAOYSA-N
XLogP4.32
TPSA91.52 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.32
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-(2,4-Dimethylthiazol-5-yl)-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine
CID 11632150
N,4-Dimethyl-5-(2-(3,4,5-trimethoxyphenylamino)pyrimidin-4-yl)thiazol-2-amine
CID 11718021
N-Ethyl-4-methyl-5-(2-(3,4,5-trimethoxyphenylamino)pyrimidin-4-yl)thiazol-2-amine
CID 11647020
N-(6-methyl-2-pyridinyl)-N'-(3,4,5-trimethoxyphenyl)thiourea
CID 2989959
4-(4-Pyridinyl)-N-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine
CID 44224654
5-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-2-N-(3,4,5-trimethoxyphenyl)-1,3-thiazole-2,4-diamine
CID 21357936
5-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-N-(3,4,5-trimethoxyphenyl)-1,3-thiazole-2,4-diamine
CID 21357963
5-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-N-(3,4,5-trimethoxyphenyl)-1,3-thiazole-2,4-diamine
CID 21357995
6-thiophen-2-yl-4-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine
CID 117087436
[4-(2-Amino-4-methyl-thiazol-5-yl)-pyrimidin-2-yl]-(3,4,5-trimethoxy-phenyl)-amine
CID 11530872
4-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine
CID 16034859
5-Pyridin-2-yl-n2-(3,4,5-trimethoxy-phenyl)-thiazole-2,4-diamine
CID 21357925

Frequently Asked Questions

What is the IUPAC name of 5-(6-bromo-2-pyridinyl)-2-N-(3,4,5-trimethoxyphenyl)-1,3-thiazole-2,4-diamine?
The IUPAC name of 5-(6-bromo-2-pyridinyl)-2-N-(3,4,5-trimethoxyphenyl)-1,3-thiazole-2,4-diamine (CID 22993936) is 5-(6-bromo-2-pyridinyl)-2-N-(3,4,5-trimethoxyphenyl)-1,3-thiazole-2,4-diamine.
What is the SMILES notation for 5-(6-bromo-2-pyridinyl)-2-N-(3,4,5-trimethoxyphenyl)-1,3-thiazole-2,4-diamine?
The canonical SMILES for 5-(6-bromo-2-pyridinyl)-2-N-(3,4,5-trimethoxyphenyl)-1,3-thiazole-2,4-diamine is COc1cc(Nc2nc(N)c(-c3cccc(Br)n3)s2)cc(OC)c1OC.
What is the InChIKey of 5-(6-bromo-2-pyridinyl)-2-N-(3,4,5-trimethoxyphenyl)-1,3-thiazole-2,4-diamine?
The InChIKey is HRSFRTHRNQEVAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN4O3S/c1-23-11-7-9(8-12(24-2)14(11)25-3)20-17-22-16(19)15(26-17)10-5-4-6-13(18)21-10/h4-8H,19H2,1-3H3,(H,20,22).
What are the key properties of 5-(6-bromo-2-pyridinyl)-2-N-(3,4,5-trimethoxyphenyl)-1,3-thiazole-2,4-diamine?
5-(6-bromo-2-pyridinyl)-2-N-(3,4,5-trimethoxyphenyl)-1,3-thiazole-2,4-diamine has a molecular weight of 437.32 g/mol, XLogP of 4.32, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-bromo-2-pyridinyl)-2-N-(3,4,5-trimethoxyphenyl)-1,3-thiazole-2,4-diamine is sourced from PubChem (CID 22993936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).