N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-(methylamino)acetamide

C12H12BrN3OS — CID 166686948

IUPACN-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-(methylamino)acetamide
SMILESCNCC(=O)Nc1nc(-c2cccc(Br)c2)cs1
InChIInChI=1S/C12H12BrN3OS/c1-14-6-11(17)16-12-15-10(7-18-12)8-3-2-4-9(13)5-8/h2-5,7,14H,6H2,1H3,(H,15,16,17)
InChIKeyFXGXYNDNMQFCLN-UHFFFAOYSA-N
MW326.22 g/mol
LogP2.73
Rot. Bonds4

About N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-(methylamino)acetamide

N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-(methylamino)acetamide (PubChem CID 166686948) has the molecular formula C12H12BrN3OS and a molecular weight of 326.22 g/mol. Its IUPAC name is N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-(methylamino)acetamide.

Molecular Properties

Compound NameN-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-(methylamino)acetamide
PubChem CID166686948
Molecular FormulaC12H12BrN3OS
Molecular Weight326.22 g/mol
Exact Mass324.99
IUPAC NameN-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-(methylamino)acetamide
SMILESCNCC(=O)Nc1nc(-c2cccc(Br)c2)cs1
InChIInChI=1S/C12H12BrN3OS/c1-14-6-11(17)16-12-15-10(7-18-12)8-3-2-4-9(13)5-8/h2-5,7,14H,6H2,1H3,(H,15,16,17)
InChIKeyFXGXYNDNMQFCLN-UHFFFAOYSA-N
XLogP2.73
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.22
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 78775296
tert-butyl N-[2-[[4-(3-bromophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]carbamate
CID 139370768
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119676953
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-tert-butylsulfanylacetamide
CID 112760877
2-(3-bromophenoxy)-N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]acetamide
CID 19196817
N-[2-[[4-(3-bromophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]cyclopentanecarboxamide
CID 86980649
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide
CID 55334183
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-methylbenzamide
CID 19195032
2-(2-bromophenoxy)-N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]acetamide
CID 19196895
[2-[[4-(3-bromophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-(methylamino)benzoate
CID 23931340
[1-[[4-(3-bromophenyl)-1,3-thiazol-2-yl]amino]-3-methoxy-1-oxopropan-2-yl]carbamic acid
CID 155026659
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-(3-ethylphenoxy)acetamide
CID 19197029

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-(methylamino)acetamide?
The IUPAC name of N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-(methylamino)acetamide (CID 166686948) is N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-(methylamino)acetamide.
What is the SMILES notation for N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-(methylamino)acetamide?
The canonical SMILES for N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-(methylamino)acetamide is CNCC(=O)Nc1nc(-c2cccc(Br)c2)cs1.
What is the InChIKey of N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-(methylamino)acetamide?
The InChIKey is FXGXYNDNMQFCLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3OS/c1-14-6-11(17)16-12-15-10(7-18-12)8-3-2-4-9(13)5-8/h2-5,7,14H,6H2,1H3,(H,15,16,17).
What are the key properties of N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-(methylamino)acetamide?
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-(methylamino)acetamide has a molecular weight of 326.22 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-(methylamino)acetamide is sourced from PubChem (CID 166686948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).