2-(3-bromo-2-fluorophenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide

C15H14BrFN2OS — CID 146022567

IUPAC2-(3-bromo-2-fluorophenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
SMILESO=C(Cc1cccc(Br)c1F)Nc1nc2c(s1)CCCC2
InChIInChI=1S/C15H14BrFN2OS/c16-10-5-3-4-9(14(10)17)8-13(20)19-15-18-11-6-1-2-7-12(11)21-15/h3-5H,1-2,6-8H2,(H,18,19,20)
InChIKeyFPRVCVAPRYUMAI-UHFFFAOYSA-N
MW369.26 g/mol
LogP4.10
Rot. Bonds3

About 2-(3-bromo-2-fluorophenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide

2-(3-bromo-2-fluorophenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide (PubChem CID 146022567) has the molecular formula C15H14BrFN2OS and a molecular weight of 369.26 g/mol. Its IUPAC name is 2-(3-bromo-2-fluorophenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(3-bromo-2-fluorophenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
PubChem CID146022567
Molecular FormulaC15H14BrFN2OS
Molecular Weight369.26 g/mol
Exact Mass368.00
IUPAC Name2-(3-bromo-2-fluorophenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
SMILESO=C(Cc1cccc(Br)c1F)Nc1nc2c(s1)CCCC2
InChIInChI=1S/C15H14BrFN2OS/c16-10-5-3-4-9(14(10)17)8-13(20)19-15-18-11-6-1-2-7-12(11)21-15/h3-5H,1-2,6-8H2,(H,18,19,20)
InChIKeyFPRVCVAPRYUMAI-UHFFFAOYSA-N
XLogP4.10
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.26
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methylphenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 6466381
3-(2,6-difluorophenyl)-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)propanamide
CID 55652063
2-naphthalen-1-yl-N-[2-oxo-2-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-ylamino)ethyl]acetamide
CID 16606453
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 38493203
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-(2-hydroxyphenyl)propanamide
CID 33039912
2-bromo-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)acetamide
CID 63678785
2-(5-chlorothiophen-2-yl)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)acetamide
CID 41340478
3-amino-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide;hydrochloride
CID 82034009
3-(benzylamino)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide
CID 141421085
2-phenylsulfanyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 2931402
3-[(4-bromophenyl)sulfonylamino]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide
CID 42333927
2,3-difluoro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyridine-4-carboxamide
CID 105381051

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-2-fluorophenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide?
The IUPAC name of 2-(3-bromo-2-fluorophenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide (CID 146022567) is 2-(3-bromo-2-fluorophenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide.
What is the SMILES notation for 2-(3-bromo-2-fluorophenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide?
The canonical SMILES for 2-(3-bromo-2-fluorophenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide is O=C(Cc1cccc(Br)c1F)Nc1nc2c(s1)CCCC2.
What is the InChIKey of 2-(3-bromo-2-fluorophenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide?
The InChIKey is FPRVCVAPRYUMAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrFN2OS/c16-10-5-3-4-9(14(10)17)8-13(20)19-15-18-11-6-1-2-7-12(11)21-15/h3-5H,1-2,6-8H2,(H,18,19,20).
What are the key properties of 2-(3-bromo-2-fluorophenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide?
2-(3-bromo-2-fluorophenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide has a molecular weight of 369.26 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-2-fluorophenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 146022567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).