N-(2-bromophenyl)-4-pyridin-2-yl-1,3-thiazol-2-amine

C14H10BrN3S — CID 2214248

IUPACN-(2-bromophenyl)-4-pyridin-2-yl-1,3-thiazol-2-amine
SMILESBrc1ccccc1Nc1nc(-c2ccccn2)cs1
InChIInChI=1S/C14H10BrN3S/c15-10-5-1-2-6-11(10)17-14-18-13(9-19-14)12-7-3-4-8-16-12/h1-9H,(H,17,18)
InChIKeyWZZBPSDIVDKPTP-UHFFFAOYSA-N
MW332.23 g/mol
LogP4.71
Rot. Bonds3

About N-(2-bromophenyl)-4-pyridin-2-yl-1,3-thiazol-2-amine

N-(2-bromophenyl)-4-pyridin-2-yl-1,3-thiazol-2-amine (PubChem CID 2214248) has the molecular formula C14H10BrN3S and a molecular weight of 332.23 g/mol. Its IUPAC name is N-(2-bromophenyl)-4-pyridin-2-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(2-bromophenyl)-4-pyridin-2-yl-1,3-thiazol-2-amine
PubChem CID2214248
Molecular FormulaC14H10BrN3S
Molecular Weight332.23 g/mol
Exact Mass330.98
IUPAC NameN-(2-bromophenyl)-4-pyridin-2-yl-1,3-thiazol-2-amine
SMILESBrc1ccccc1Nc1nc(-c2ccccn2)cs1
InChIInChI=1S/C14H10BrN3S/c15-10-5-1-2-6-11(10)17-14-18-13(9-19-14)12-7-3-4-8-16-12/h1-9H,(H,17,18)
InChIKeyWZZBPSDIVDKPTP-UHFFFAOYSA-N
XLogP4.71
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.23
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

CID 704473
CID 704473
CID 1092459
CID 1092459
CID 750531
CID 750531
CID 746667
CID 746667
CID 5329396
CID 5329396
CID 667583
CID 667583
CID 697807
CID 697807
CID 746617
CID 746617
CID 972993
CID 972993
CID 2213820
CID 2213820
CID 704452
CID 704452
CID 704482
CID 704482

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-4-pyridin-2-yl-1,3-thiazol-2-amine?
The IUPAC name of N-(2-bromophenyl)-4-pyridin-2-yl-1,3-thiazol-2-amine (CID 2214248) is N-(2-bromophenyl)-4-pyridin-2-yl-1,3-thiazol-2-amine.
What is the SMILES notation for N-(2-bromophenyl)-4-pyridin-2-yl-1,3-thiazol-2-amine?
The canonical SMILES for N-(2-bromophenyl)-4-pyridin-2-yl-1,3-thiazol-2-amine is Brc1ccccc1Nc1nc(-c2ccccn2)cs1.
What is the InChIKey of N-(2-bromophenyl)-4-pyridin-2-yl-1,3-thiazol-2-amine?
The InChIKey is WZZBPSDIVDKPTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrN3S/c15-10-5-1-2-6-11(10)17-14-18-13(9-19-14)12-7-3-4-8-16-12/h1-9H,(H,17,18).
What are the key properties of N-(2-bromophenyl)-4-pyridin-2-yl-1,3-thiazol-2-amine?
N-(2-bromophenyl)-4-pyridin-2-yl-1,3-thiazol-2-amine has a molecular weight of 332.23 g/mol, XLogP of 4.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-4-pyridin-2-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 2214248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).