2-[1-(2-bromophenyl)ethylamino]-N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide

C16H20BrN3OS — CID 112811581

IUPAC2-[1-(2-bromophenyl)ethylamino]-N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide
SMILESCc1nc(NC(=O)C(C)NC(C)c2ccccc2Br)sc1C
InChIInChI=1S/C16H20BrN3OS/c1-9-12(4)22-16(19-9)20-15(21)11(3)18-10(2)13-7-5-6-8-14(13)17/h5-8,10-11,18H,1-4H3,(H,19,20,21)
InChIKeySEWMIBWWAPZOGG-UHFFFAOYSA-N
MW382.33 g/mol
LogP4.20
Rot. Bonds5

About 2-[1-(2-bromophenyl)ethylamino]-N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide

2-[1-(2-bromophenyl)ethylamino]-N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide (PubChem CID 112811581) has the molecular formula C16H20BrN3OS and a molecular weight of 382.33 g/mol. Its IUPAC name is 2-[1-(2-bromophenyl)ethylamino]-N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name2-[1-(2-bromophenyl)ethylamino]-N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide
PubChem CID112811581
Molecular FormulaC16H20BrN3OS
Molecular Weight382.33 g/mol
Exact Mass381.05
IUPAC Name2-[1-(2-bromophenyl)ethylamino]-N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide
SMILESCc1nc(NC(=O)C(C)NC(C)c2ccccc2Br)sc1C
InChIInChI=1S/C16H20BrN3OS/c1-9-12(4)22-16(19-9)20-15(21)11(3)18-10(2)13-7-5-6-8-14(13)17/h5-8,10-11,18H,1-4H3,(H,19,20,21)
InChIKeySEWMIBWWAPZOGG-UHFFFAOYSA-N
XLogP4.20
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.33
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-bromophenyl)ethylamino]-N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide?
The IUPAC name of 2-[1-(2-bromophenyl)ethylamino]-N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide (CID 112811581) is 2-[1-(2-bromophenyl)ethylamino]-N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 2-[1-(2-bromophenyl)ethylamino]-N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 2-[1-(2-bromophenyl)ethylamino]-N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide is Cc1nc(NC(=O)C(C)NC(C)c2ccccc2Br)sc1C.
What is the InChIKey of 2-[1-(2-bromophenyl)ethylamino]-N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide?
The InChIKey is SEWMIBWWAPZOGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN3OS/c1-9-12(4)22-16(19-9)20-15(21)11(3)18-10(2)13-7-5-6-8-14(13)17/h5-8,10-11,18H,1-4H3,(H,19,20,21).
What are the key properties of 2-[1-(2-bromophenyl)ethylamino]-N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide?
2-[1-(2-bromophenyl)ethylamino]-N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide has a molecular weight of 382.33 g/mol, XLogP of 4.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-bromophenyl)ethylamino]-N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 112811581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).