tert-butyl N-[(4-phenyl-1,3-thiazol-2-yl)amino]carbamate

C14H17N3O2S — CID 89465893

IUPACtert-butyl N-[(4-phenyl-1,3-thiazol-2-yl)amino]carbamate
SMILESCC(C)(C)OC(=O)NNc1nc(-c2ccccc2)cs1
InChIInChI=1S/C14H17N3O2S/c1-14(2,3)19-13(18)17-16-12-15-11(9-20-12)10-7-5-4-6-8-10/h4-9H,1-3H3,(H,15,16)(H,17,18)
InChIKeyPAMKFMPSLUDYHN-UHFFFAOYSA-N
MW291.38 g/mol
LogP3.66
Rot. Bonds3

About tert-butyl N-[(4-phenyl-1,3-thiazol-2-yl)amino]carbamate

tert-butyl N-[(4-phenyl-1,3-thiazol-2-yl)amino]carbamate (PubChem CID 89465893) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is tert-butyl N-[(4-phenyl-1,3-thiazol-2-yl)amino]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(4-phenyl-1,3-thiazol-2-yl)amino]carbamate
PubChem CID89465893
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Nametert-butyl N-[(4-phenyl-1,3-thiazol-2-yl)amino]carbamate
SMILESCC(C)(C)OC(=O)NNc1nc(-c2ccccc2)cs1
InChIInChI=1S/C14H17N3O2S/c1-14(2,3)19-13(18)17-16-12-15-11(9-20-12)10-7-5-4-6-8-10/h4-9H,1-3H3,(H,15,16)(H,17,18)
InChIKeyPAMKFMPSLUDYHN-UHFFFAOYSA-N
XLogP3.66
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[(2S,3R)-1-oxo-3-phenylmethoxy-1-[(4-phenyl-1,3-thiazol-2-yl)amino]butan-2-yl]carbamate
CID 2213521
tert-butyl N-[(5S)-5-amino-6-oxo-6-[(4-phenyl-1,3-thiazol-2-yl)amino]hexyl]carbamate
CID 156819595
N'-(4-phenyl-1,3-thiazol-2-yl)hexadecanehydrazide
CID 5068423
tert-butyl N-[4-[3-(dimethylamino)phenyl]-1,3-thiazol-2-yl]carbamate
CID 162743793
tert-butyl 4-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxo-3-[(4-phenyl-1,3-thiazol-2-yl)amino]propoxy]methyl]benzoate
CID 170311176
1,3-bis(4-phenyl-1,3-thiazol-2-yl)urea
CID 13089293
methyl N-[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]carbamate
CID 47299409
tert-butyl N-[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]carbamate
CID 139371491
tert-butyl N-[8-(hydroxyamino)-1,8-dioxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]octan-2-yl]carbamate
CID 73031692
tert-butyl N-[[(5R)-3-[(4-phenyl-1,3-thiazol-2-yl)carbamoyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]carbamate
CID 100685574
benzyl N-[(2S)-7-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]heptan-2-yl]carbamate
CID 59028964
tert-butyl N-[2-[[N'-methyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]carbamimidoyl]amino]ethyl]carbamate
CID 111884901

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(4-phenyl-1,3-thiazol-2-yl)amino]carbamate?
The IUPAC name of tert-butyl N-[(4-phenyl-1,3-thiazol-2-yl)amino]carbamate (CID 89465893) is tert-butyl N-[(4-phenyl-1,3-thiazol-2-yl)amino]carbamate.
What is the SMILES notation for tert-butyl N-[(4-phenyl-1,3-thiazol-2-yl)amino]carbamate?
The canonical SMILES for tert-butyl N-[(4-phenyl-1,3-thiazol-2-yl)amino]carbamate is CC(C)(C)OC(=O)NNc1nc(-c2ccccc2)cs1.
What is the InChIKey of tert-butyl N-[(4-phenyl-1,3-thiazol-2-yl)amino]carbamate?
The InChIKey is PAMKFMPSLUDYHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-14(2,3)19-13(18)17-16-12-15-11(9-20-12)10-7-5-4-6-8-10/h4-9H,1-3H3,(H,15,16)(H,17,18).
What are the key properties of tert-butyl N-[(4-phenyl-1,3-thiazol-2-yl)amino]carbamate?
tert-butyl N-[(4-phenyl-1,3-thiazol-2-yl)amino]carbamate has a molecular weight of 291.38 g/mol, XLogP of 3.66, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(4-phenyl-1,3-thiazol-2-yl)amino]carbamate is sourced from PubChem (CID 89465893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).