benzyl N-[(2R)-1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl]carbamate

C20H19N3O3S — CID 1103584

IUPACbenzyl N-[(2R)-1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl]carbamate
SMILESC[C@@H](NC(=O)OCc1ccccc1)C(=O)Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C20H19N3O3S/c1-14(21-20(25)26-12-15-8-4-2-5-9-15)18(24)23-19-22-17(13-27-19)16-10-6-3-7-11-16/h2-11,13-14H,12H2,1H3,(H,21,25)(H,22,23,24)/t14-/m1/s1
InChIKeyKBPNBGORDWFPDF-CQSZACIVSA-N
MW381.46 g/mol
LogP4.06
Rot. Bonds6

About benzyl N-[(2R)-1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl]carbamate

benzyl N-[(2R)-1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl]carbamate (PubChem CID 1103584) has the molecular formula C20H19N3O3S and a molecular weight of 381.46 g/mol. Its IUPAC name is benzyl N-[(2R)-1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(2R)-1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl]carbamate
PubChem CID1103584
Molecular FormulaC20H19N3O3S
Molecular Weight381.46 g/mol
Exact Mass381.11
IUPAC Namebenzyl N-[(2R)-1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl]carbamate
SMILESC[C@@H](NC(=O)OCc1ccccc1)C(=O)Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C20H19N3O3S/c1-14(21-20(25)26-12-15-8-4-2-5-9-15)18(24)23-19-22-17(13-27-19)16-10-6-3-7-11-16/h2-11,13-14H,12H2,1H3,(H,21,25)(H,22,23,24)/t14-/m1/s1
InChIKeyKBPNBGORDWFPDF-CQSZACIVSA-N
XLogP4.06
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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(2S)-2-amino-N-(4-phenyl-1,3-thiazol-2-yl)pentanamide
CID 139370957
benzyl N-[1-[(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)amino]-1-oxopropan-2-yl]carbamate
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2-amino-N-(4-phenyl-1,3-thiazol-2-yl)butanamide
CID 139386677
2-benzyl-3-ethoxy-3-oxopropanoic acid;2-benzyl-3-oxo-3-[(4-phenyl-1,3-thiazol-2-yl)amino]propanoic acid;diethyl 2-benzylpropanedioate;ethyl 2-benzyl-3-oxo-3-[(4-phenyl-1,3-thiazol-2-yl)amino]propanoate
CID 159260625

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(2R)-1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl]carbamate?
The IUPAC name of benzyl N-[(2R)-1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl]carbamate (CID 1103584) is benzyl N-[(2R)-1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl]carbamate.
What is the SMILES notation for benzyl N-[(2R)-1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl]carbamate?
The canonical SMILES for benzyl N-[(2R)-1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl]carbamate is C[C@@H](NC(=O)OCc1ccccc1)C(=O)Nc1nc(-c2ccccc2)cs1.
What is the InChIKey of benzyl N-[(2R)-1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl]carbamate?
The InChIKey is KBPNBGORDWFPDF-CQSZACIVSA-N. The full InChI is InChI=1S/C20H19N3O3S/c1-14(21-20(25)26-12-15-8-4-2-5-9-15)18(24)23-19-22-17(13-27-19)16-10-6-3-7-11-16/h2-11,13-14H,12H2,1H3,(H,21,25)(H,22,23,24)/t14-/m1/s1.
What are the key properties of benzyl N-[(2R)-1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl]carbamate?
benzyl N-[(2R)-1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl]carbamate has a molecular weight of 381.46 g/mol, XLogP of 4.06, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(2R)-1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl]carbamate is sourced from PubChem (CID 1103584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).