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

C13H13N3O3S — CID 47299409

IUPACmethyl N-[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]carbamate
SMILESCOC(=O)NCC(=O)Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C13H13N3O3S/c1-19-13(18)14-7-11(17)16-12-15-10(8-20-12)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,14,18)(H,15,16,17)
InChIKeyXHVRJYCBATYDDE-UHFFFAOYSA-N
MW291.33 g/mol
LogP2.10
Rot. Bonds4

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

methyl N-[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]carbamate (PubChem CID 47299409) has the molecular formula C13H13N3O3S and a molecular weight of 291.33 g/mol. Its IUPAC name is methyl N-[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]carbamate
PubChem CID47299409
Molecular FormulaC13H13N3O3S
Molecular Weight291.33 g/mol
Exact Mass291.07
IUPAC Namemethyl N-[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]carbamate
SMILESCOC(=O)NCC(=O)Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C13H13N3O3S/c1-19-13(18)14-7-11(17)16-12-15-10(8-20-12)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,14,18)(H,15,16,17)
InChIKeyXHVRJYCBATYDDE-UHFFFAOYSA-N
XLogP2.10
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]carbamate
CID 139371491
2-(2-methoxyethylamino)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide;hydrochloride
CID 119670239
methyl N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]carbamate
CID 47299980
3-methyl-N-[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]benzamide
CID 18267450
1-methyl-N-[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]pyrrole-3-carboxamide
CID 154667811
tert-butyl N-[2-[[4-(3-bromophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]carbamate
CID 139370768
4-oxo-4-[(4-phenyl-1,3-thiazol-2-yl)amino]butanoic acid
CID 804919
1,3-bis(4-phenyl-1,3-thiazol-2-yl)urea
CID 13089293
2-(4-ethylphenyl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 43951133
2-[(2E)-2-benzylidenehydrazinyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 24865723
N-(4-phenyl-1,3-thiazol-2-yl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 2598512
2-(3,5-dimethylpyrazol-1-yl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 800348

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]carbamate?
The IUPAC name of methyl N-[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]carbamate (CID 47299409) is methyl N-[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]carbamate.
What is the SMILES notation for methyl N-[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]carbamate?
The canonical SMILES for methyl N-[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]carbamate is COC(=O)NCC(=O)Nc1nc(-c2ccccc2)cs1.
What is the InChIKey of methyl N-[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]carbamate?
The InChIKey is XHVRJYCBATYDDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3S/c1-19-13(18)14-7-11(17)16-12-15-10(8-20-12)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,14,18)(H,15,16,17).
What are the key properties of methyl N-[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]carbamate?
methyl N-[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]carbamate has a molecular weight of 291.33 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]carbamate is sourced from PubChem (CID 47299409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).