methyl N-[5-[(2-bromobenzoyl)amino]-4-phenyl-1,3-thiazol-2-yl]carbamate

C18H14BrN3O3S — CID 121065385

IUPACmethyl N-[5-[(2-bromobenzoyl)amino]-4-phenyl-1,3-thiazol-2-yl]carbamate
SMILESCOC(=O)Nc1nc(-c2ccccc2)c(NC(=O)c2ccccc2Br)s1
InChIInChI=1S/C18H14BrN3O3S/c1-25-18(24)22-17-20-14(11-7-3-2-4-8-11)16(26-17)21-15(23)12-9-5-6-10-13(12)19/h2-10H,1H3,(H,21,23)(H,20,22,24)
InChIKeyIXTSUCFWQZYRDG-UHFFFAOYSA-N
MW432.30 g/mol
LogP5.00
Rot. Bonds4

About methyl N-[5-[(2-bromobenzoyl)amino]-4-phenyl-1,3-thiazol-2-yl]carbamate

methyl N-[5-[(2-bromobenzoyl)amino]-4-phenyl-1,3-thiazol-2-yl]carbamate (PubChem CID 121065385) has the molecular formula C18H14BrN3O3S and a molecular weight of 432.30 g/mol. Its IUPAC name is methyl N-[5-[(2-bromobenzoyl)amino]-4-phenyl-1,3-thiazol-2-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[5-[(2-bromobenzoyl)amino]-4-phenyl-1,3-thiazol-2-yl]carbamate
PubChem CID121065385
Molecular FormulaC18H14BrN3O3S
Molecular Weight432.30 g/mol
Exact Mass430.99
IUPAC Namemethyl N-[5-[(2-bromobenzoyl)amino]-4-phenyl-1,3-thiazol-2-yl]carbamate
SMILESCOC(=O)Nc1nc(-c2ccccc2)c(NC(=O)c2ccccc2Br)s1
InChIInChI=1S/C18H14BrN3O3S/c1-25-18(24)22-17-20-14(11-7-3-2-4-8-11)16(26-17)21-15(23)12-9-5-6-10-13(12)19/h2-10H,1H3,(H,21,23)(H,20,22,24)
InChIKeyIXTSUCFWQZYRDG-UHFFFAOYSA-N
XLogP5.00
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.30
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl N-[5-[(5-chloro-2-methoxybenzoyl)amino]-4-phenyl-1,3-thiazol-2-yl]carbamate
CID 121065395
methyl N-[5-(3,3-diphenylpropanoylamino)-4-phenyl-1,3-thiazol-2-yl]carbamate
CID 121065435
methyl N-(4,5-diphenyl-1,3-thiazol-2-yl)carbamate
CID 1244319
methyl N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)carbamate
CID 1220478
ethyl N-[5-[(5-bromo-2-chlorobenzoyl)amino]-4-phenyl-1,3-thiazol-2-yl]carbamate
CID 121065544
N-(2-benzamido-4-phenyl-1,3-thiazol-5-yl)benzamide
CID 46300054
methyl N-[5-[[2-(1H-indol-3-yl)-2-oxoacetyl]amino]-4-phenyl-1,3-thiazol-2-yl]carbamate
CID 121065447
ethyl N-[5-[(2-nitrobenzoyl)amino]-4-phenyl-1,3-thiazol-2-yl]carbamate
CID 121065546
N-(5-benzamido-4-phenyl-1,3-thiazol-2-yl)-2-chlorobenzamide
CID 46300012
methyl N-[5-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-4-phenyl-1,3-thiazol-2-yl]carbamate
CID 121065459
methyl N-[5-[(2-naphthalen-2-yloxyacetyl)amino]-4-phenyl-1,3-thiazol-2-yl]carbamate
CID 121065421
methyl N-[5-(3-cyclohexylpropanoylamino)-4-phenyl-1,3-thiazol-2-yl]carbamate
CID 121065351

Frequently Asked Questions

What is the IUPAC name of methyl N-[5-[(2-bromobenzoyl)amino]-4-phenyl-1,3-thiazol-2-yl]carbamate?
The IUPAC name of methyl N-[5-[(2-bromobenzoyl)amino]-4-phenyl-1,3-thiazol-2-yl]carbamate (CID 121065385) is methyl N-[5-[(2-bromobenzoyl)amino]-4-phenyl-1,3-thiazol-2-yl]carbamate.
What is the SMILES notation for methyl N-[5-[(2-bromobenzoyl)amino]-4-phenyl-1,3-thiazol-2-yl]carbamate?
The canonical SMILES for methyl N-[5-[(2-bromobenzoyl)amino]-4-phenyl-1,3-thiazol-2-yl]carbamate is COC(=O)Nc1nc(-c2ccccc2)c(NC(=O)c2ccccc2Br)s1.
What is the InChIKey of methyl N-[5-[(2-bromobenzoyl)amino]-4-phenyl-1,3-thiazol-2-yl]carbamate?
The InChIKey is IXTSUCFWQZYRDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrN3O3S/c1-25-18(24)22-17-20-14(11-7-3-2-4-8-11)16(26-17)21-15(23)12-9-5-6-10-13(12)19/h2-10H,1H3,(H,21,23)(H,20,22,24).
What are the key properties of methyl N-[5-[(2-bromobenzoyl)amino]-4-phenyl-1,3-thiazol-2-yl]carbamate?
methyl N-[5-[(2-bromobenzoyl)amino]-4-phenyl-1,3-thiazol-2-yl]carbamate has a molecular weight of 432.30 g/mol, XLogP of 5.00, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[5-[(2-bromobenzoyl)amino]-4-phenyl-1,3-thiazol-2-yl]carbamate is sourced from PubChem (CID 121065385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).