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

C22H24N4O3S — CID 108766685

IUPACtert-butyl N-[1-oxo-3-phenyl-1-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]propan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)NC(Cc1ccccc1)C(=O)Nc1nc(-c2ccccn2)cs1
InChIInChI=1S/C22H24N4O3S/c1-22(2,3)29-21(28)25-17(13-15-9-5-4-6-10-15)19(27)26-20-24-18(14-30-20)16-11-7-8-12-23-16/h4-12,14,17H,13H2,1-3H3,(H,25,28)(H,24,26,27)
InChIKeyOPPMATCQJYHQHQ-UHFFFAOYSA-N
MW424.53 g/mol
LogP4.28
Rot. Bonds6

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

tert-butyl N-[1-oxo-3-phenyl-1-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]propan-2-yl]carbamate (PubChem CID 108766685) has the molecular formula C22H24N4O3S and a molecular weight of 424.53 g/mol. Its IUPAC name is tert-butyl N-[1-oxo-3-phenyl-1-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]propan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-oxo-3-phenyl-1-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]propan-2-yl]carbamate
PubChem CID108766685
Molecular FormulaC22H24N4O3S
Molecular Weight424.53 g/mol
Exact Mass424.16
IUPAC Nametert-butyl N-[1-oxo-3-phenyl-1-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]propan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)NC(Cc1ccccc1)C(=O)Nc1nc(-c2ccccn2)cs1
InChIInChI=1S/C22H24N4O3S/c1-22(2,3)29-21(28)25-17(13-15-9-5-4-6-10-15)19(27)26-20-24-18(14-30-20)16-11-7-8-12-23-16/h4-12,14,17H,13H2,1-3H3,(H,25,28)(H,24,26,27)
InChIKeyOPPMATCQJYHQHQ-UHFFFAOYSA-N
XLogP4.28
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.53
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-[1-oxo-3-phenyl-1-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]propan-2-yl]carbamate with MolForge

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Related Compounds

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benzyl N-[(2S)-7-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]heptan-2-yl]carbamate
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tert-butyl N-[(2S)-1-oxo-3-phenyl-1-(3-pyridin-4-ylanilino)propan-2-yl]carbamate
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(2S)-2-[[(2S)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoic acid
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tert-butyl N-[(2S)-1-[4-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]butylamino]-1-oxo-3-phenylpropan-2-yl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-oxo-3-phenyl-1-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]propan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-oxo-3-phenyl-1-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]propan-2-yl]carbamate (CID 108766685) is tert-butyl N-[1-oxo-3-phenyl-1-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]propan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-oxo-3-phenyl-1-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]propan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-oxo-3-phenyl-1-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]propan-2-yl]carbamate is CC(C)(C)OC(=O)NC(Cc1ccccc1)C(=O)Nc1nc(-c2ccccn2)cs1.
What is the InChIKey of tert-butyl N-[1-oxo-3-phenyl-1-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]propan-2-yl]carbamate?
The InChIKey is OPPMATCQJYHQHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3S/c1-22(2,3)29-21(28)25-17(13-15-9-5-4-6-10-15)19(27)26-20-24-18(14-30-20)16-11-7-8-12-23-16/h4-12,14,17H,13H2,1-3H3,(H,25,28)(H,24,26,27).
What are the key properties of tert-butyl N-[1-oxo-3-phenyl-1-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]propan-2-yl]carbamate?
tert-butyl N-[1-oxo-3-phenyl-1-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]propan-2-yl]carbamate has a molecular weight of 424.53 g/mol, XLogP of 4.28, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-oxo-3-phenyl-1-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]propan-2-yl]carbamate is sourced from PubChem (CID 108766685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).