tert-butyl N-[1-oxo-3-phenylmethoxy-1-(1,3-thiazol-2-ylamino)butan-2-yl]carbamate

C19H25N3O4S — CID 3136685

IUPACtert-butyl N-[1-oxo-3-phenylmethoxy-1-(1,3-thiazol-2-ylamino)butan-2-yl]carbamate
SMILESCC(OCc1ccccc1)C(NC(=O)OC(C)(C)C)C(=O)Nc1nccs1
InChIInChI=1S/C19H25N3O4S/c1-13(25-12-14-8-6-5-7-9-14)15(21-18(24)26-19(2,3)4)16(23)22-17-20-10-11-27-17/h5-11,13,15H,12H2,1-4H3,(H,21,24)(H,20,22,23)
InChIKeyKHWJCQQXMUUQMG-UHFFFAOYSA-N
MW391.49 g/mol
LogP3.58
Rot. Bonds7

About tert-butyl N-[1-oxo-3-phenylmethoxy-1-(1,3-thiazol-2-ylamino)butan-2-yl]carbamate

tert-butyl N-[1-oxo-3-phenylmethoxy-1-(1,3-thiazol-2-ylamino)butan-2-yl]carbamate (PubChem CID 3136685) has the molecular formula C19H25N3O4S and a molecular weight of 391.49 g/mol. Its IUPAC name is tert-butyl N-[1-oxo-3-phenylmethoxy-1-(1,3-thiazol-2-ylamino)butan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-oxo-3-phenylmethoxy-1-(1,3-thiazol-2-ylamino)butan-2-yl]carbamate
PubChem CID3136685
Molecular FormulaC19H25N3O4S
Molecular Weight391.49 g/mol
Exact Mass391.16
IUPAC Nametert-butyl N-[1-oxo-3-phenylmethoxy-1-(1,3-thiazol-2-ylamino)butan-2-yl]carbamate
SMILESCC(OCc1ccccc1)C(NC(=O)OC(C)(C)C)C(=O)Nc1nccs1
InChIInChI=1S/C19H25N3O4S/c1-13(25-12-14-8-6-5-7-9-14)15(21-18(24)26-19(2,3)4)16(23)22-17-20-10-11-27-17/h5-11,13,15H,12H2,1-4H3,(H,21,24)(H,20,22,23)
InChIKeyKHWJCQQXMUUQMG-UHFFFAOYSA-N
XLogP3.58
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.49
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-oxo-3-phenylmethoxy-1-(1,3-thiazol-2-ylamino)butan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-oxo-3-phenylmethoxy-1-(1,3-thiazol-2-ylamino)butan-2-yl]carbamate (CID 3136685) is tert-butyl N-[1-oxo-3-phenylmethoxy-1-(1,3-thiazol-2-ylamino)butan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-oxo-3-phenylmethoxy-1-(1,3-thiazol-2-ylamino)butan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-oxo-3-phenylmethoxy-1-(1,3-thiazol-2-ylamino)butan-2-yl]carbamate is CC(OCc1ccccc1)C(NC(=O)OC(C)(C)C)C(=O)Nc1nccs1.
What is the InChIKey of tert-butyl N-[1-oxo-3-phenylmethoxy-1-(1,3-thiazol-2-ylamino)butan-2-yl]carbamate?
The InChIKey is KHWJCQQXMUUQMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4S/c1-13(25-12-14-8-6-5-7-9-14)15(21-18(24)26-19(2,3)4)16(23)22-17-20-10-11-27-17/h5-11,13,15H,12H2,1-4H3,(H,21,24)(H,20,22,23).
What are the key properties of tert-butyl N-[1-oxo-3-phenylmethoxy-1-(1,3-thiazol-2-ylamino)butan-2-yl]carbamate?
tert-butyl N-[1-oxo-3-phenylmethoxy-1-(1,3-thiazol-2-ylamino)butan-2-yl]carbamate has a molecular weight of 391.49 g/mol, XLogP of 3.58, 7 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-phenylmethoxy-1-(1,3-thiazol-2-ylamino)butan-2-yl]carbamate is sourced from PubChem (CID 3136685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).