2-[[2-(3-bromophenoxy)pyridine-3-carbonyl]amino]-1,3-thiazole-5-carboxamide

C16H11BrN4O3S — CID 78884843

IUPAC2-[[2-(3-bromophenoxy)pyridine-3-carbonyl]amino]-1,3-thiazole-5-carboxamide
SMILESNC(=O)c1cnc(NC(=O)c2cccnc2Oc2cccc(Br)c2)s1
InChIInChI=1S/C16H11BrN4O3S/c17-9-3-1-4-10(7-9)24-15-11(5-2-6-19-15)14(23)21-16-20-8-12(25-16)13(18)22/h1-8H,(H2,18,22)(H,20,21,23)
InChIKeyRBAOHNYIFPFARV-UHFFFAOYSA-N
MW419.26 g/mol
LogP3.44
Rot. Bonds5

About 2-[[2-(3-bromophenoxy)pyridine-3-carbonyl]amino]-1,3-thiazole-5-carboxamide

2-[[2-(3-bromophenoxy)pyridine-3-carbonyl]amino]-1,3-thiazole-5-carboxamide (PubChem CID 78884843) has the molecular formula C16H11BrN4O3S and a molecular weight of 419.26 g/mol. Its IUPAC name is 2-[[2-(3-bromophenoxy)pyridine-3-carbonyl]amino]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[[2-(3-bromophenoxy)pyridine-3-carbonyl]amino]-1,3-thiazole-5-carboxamide
PubChem CID78884843
Molecular FormulaC16H11BrN4O3S
Molecular Weight419.26 g/mol
Exact Mass417.97
IUPAC Name2-[[2-(3-bromophenoxy)pyridine-3-carbonyl]amino]-1,3-thiazole-5-carboxamide
SMILESNC(=O)c1cnc(NC(=O)c2cccnc2Oc2cccc(Br)c2)s1
InChIInChI=1S/C16H11BrN4O3S/c17-9-3-1-4-10(7-9)24-15-11(5-2-6-19-15)14(23)21-16-20-8-12(25-16)13(18)22/h1-8H,(H2,18,22)(H,20,21,23)
InChIKeyRBAOHNYIFPFARV-UHFFFAOYSA-N
XLogP3.44
TPSA107.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.26
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[2-(dimethylamino)pyridine-3-carbonyl]amino]-1,3-thiazole-5-carboxamide
CID 78874057
3-(3-bromophenoxy)pyrazine-2-carboxamide
CID 62684983
2-phenoxy-N-(5-propan-2-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 22170733
2-(pyridine-2-carbonylamino)-1,3-thiazole-5-carboxamide
CID 22262890
2-[(5-bromothiophene-3-carbonyl)amino]-1,3-thiazole-5-carboxamide
CID 78852049
2-[[1-(3-bromophenyl)cyclopropanecarbonyl]amino]-1,3-thiazole-5-carboxamide
CID 78847761
2-[(3-bromo-5-fluorobenzoyl)amino]-1,3-thiazole-5-carboxamide
CID 78883316
2-(3-hydroxyphenoxy)pyridine-3-carboxamide
CID 60870286
2-(3-bromophenoxy)-N-methyl-N-propan-2-ylpyridine-3-carboxamide
CID 78883963
2-(3-bromophenoxy)-N-[2-(furan-2-yl)-2-hydroxyethyl]pyridine-3-carboxamide
CID 78875469
2-(3-bromophenoxy)pyridin-3-amine
CID 16782330
2-methoxy-N-(5-methyl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 46557890

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-bromophenoxy)pyridine-3-carbonyl]amino]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[[2-(3-bromophenoxy)pyridine-3-carbonyl]amino]-1,3-thiazole-5-carboxamide (CID 78884843) is 2-[[2-(3-bromophenoxy)pyridine-3-carbonyl]amino]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[[2-(3-bromophenoxy)pyridine-3-carbonyl]amino]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[[2-(3-bromophenoxy)pyridine-3-carbonyl]amino]-1,3-thiazole-5-carboxamide is NC(=O)c1cnc(NC(=O)c2cccnc2Oc2cccc(Br)c2)s1.
What is the InChIKey of 2-[[2-(3-bromophenoxy)pyridine-3-carbonyl]amino]-1,3-thiazole-5-carboxamide?
The InChIKey is RBAOHNYIFPFARV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrN4O3S/c17-9-3-1-4-10(7-9)24-15-11(5-2-6-19-15)14(23)21-16-20-8-12(25-16)13(18)22/h1-8H,(H2,18,22)(H,20,21,23).
What are the key properties of 2-[[2-(3-bromophenoxy)pyridine-3-carbonyl]amino]-1,3-thiazole-5-carboxamide?
2-[[2-(3-bromophenoxy)pyridine-3-carbonyl]amino]-1,3-thiazole-5-carboxamide has a molecular weight of 419.26 g/mol, XLogP of 3.44, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-bromophenoxy)pyridine-3-carbonyl]amino]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 78884843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).