2-(2-aminoethyl)-N-(4-bromo-2,6-difluorophenyl)-1,3-thiazole-4-carboxamide

C12H10BrF2N3OS — CID 66389198

IUPAC2-(2-aminoethyl)-N-(4-bromo-2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
SMILESNCCc1nc(C(=O)Nc2c(F)cc(Br)cc2F)cs1
InChIInChI=1S/C12H10BrF2N3OS/c13-6-3-7(14)11(8(15)4-6)18-12(19)9-5-20-10(17-9)1-2-16/h3-5H,1-2,16H2,(H,18,19)
InChIKeyXETBQICBBIDFHF-UHFFFAOYSA-N
MW362.20 g/mol
LogP2.94
Rot. Bonds4

About 2-(2-aminoethyl)-N-(4-bromo-2,6-difluorophenyl)-1,3-thiazole-4-carboxamide

2-(2-aminoethyl)-N-(4-bromo-2,6-difluorophenyl)-1,3-thiazole-4-carboxamide (PubChem CID 66389198) has the molecular formula C12H10BrF2N3OS and a molecular weight of 362.20 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-(4-bromo-2,6-difluorophenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-(4-bromo-2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
PubChem CID66389198
Molecular FormulaC12H10BrF2N3OS
Molecular Weight362.20 g/mol
Exact Mass360.97
IUPAC Name2-(2-aminoethyl)-N-(4-bromo-2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
SMILESNCCc1nc(C(=O)Nc2c(F)cc(Br)cc2F)cs1
InChIInChI=1S/C12H10BrF2N3OS/c13-6-3-7(14)11(8(15)4-6)18-12(19)9-5-20-10(17-9)1-2-16/h3-5H,1-2,16H2,(H,18,19)
InChIKeyXETBQICBBIDFHF-UHFFFAOYSA-N
XLogP2.94
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.20
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(aminomethyl)-N-(4-bromo-2,6-dichlorophenyl)-1,3-thiazole-4-carboxamide
CID 66377996
2-(2-aminoethyl)-N-(4-chloro-3-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 66388298
2-[[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]amino]-4-bromobenzoic acid
CID 66388543
2-(2-aminoethyl)-N-(2,3,4-trifluorophenyl)-1,3-thiazole-4-carboxamide
CID 66373606
2-(2-aminoethyl)-N-(5-bromo-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 66389270
4-[[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]amino]-2-fluorobenzoic acid
CID 107795142
2-(2-aminoethyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 66375134
2-(aminomethyl)-N-(2,3,4,5,6-pentafluorophenyl)-1,3-thiazole-4-carboxamide
CID 115564435
N,2-bis(2-aminoethyl)-1,3-thiazole-4-carboxamide
CID 66389522
2-(2-aminoethyl)-N-(4-fluoro-3-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 114839656
2-(2-aminoethyl)-N-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 66372668
2-(2-aminoethyl)-N-(4-fluoro-2-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 66389147

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-(4-bromo-2,6-difluorophenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(2-aminoethyl)-N-(4-bromo-2,6-difluorophenyl)-1,3-thiazole-4-carboxamide (CID 66389198) is 2-(2-aminoethyl)-N-(4-bromo-2,6-difluorophenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(2-aminoethyl)-N-(4-bromo-2,6-difluorophenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(2-aminoethyl)-N-(4-bromo-2,6-difluorophenyl)-1,3-thiazole-4-carboxamide is NCCc1nc(C(=O)Nc2c(F)cc(Br)cc2F)cs1.
What is the InChIKey of 2-(2-aminoethyl)-N-(4-bromo-2,6-difluorophenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is XETBQICBBIDFHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrF2N3OS/c13-6-3-7(14)11(8(15)4-6)18-12(19)9-5-20-10(17-9)1-2-16/h3-5H,1-2,16H2,(H,18,19).
What are the key properties of 2-(2-aminoethyl)-N-(4-bromo-2,6-difluorophenyl)-1,3-thiazole-4-carboxamide?
2-(2-aminoethyl)-N-(4-bromo-2,6-difluorophenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 362.20 g/mol, XLogP of 2.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-N-(4-bromo-2,6-difluorophenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 66389198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).