tert-butyl N-[4-(3-carbamoyl-2-hydroxyphenyl)-5-propan-2-yl-1,3-thiazol-2-yl]carbamate

C18H23N3O4S — CID 87282022

IUPACtert-butyl N-[4-(3-carbamoyl-2-hydroxyphenyl)-5-propan-2-yl-1,3-thiazol-2-yl]carbamate
SMILESCC(C)c1sc(NC(=O)OC(C)(C)C)nc1-c1cccc(C(N)=O)c1O
InChIInChI=1S/C18H23N3O4S/c1-9(2)14-12(10-7-6-8-11(13(10)22)15(19)23)20-16(26-14)21-17(24)25-18(3,4)5/h6-9,22H,1-5H3,(H2,19,23)(H,20,21,24)
InChIKeyZHRZWSYPVVMQOK-UHFFFAOYSA-N
MW377.47 g/mol
LogP4.09
Rot. Bonds4

About tert-butyl N-[4-(3-carbamoyl-2-hydroxyphenyl)-5-propan-2-yl-1,3-thiazol-2-yl]carbamate

tert-butyl N-[4-(3-carbamoyl-2-hydroxyphenyl)-5-propan-2-yl-1,3-thiazol-2-yl]carbamate (PubChem CID 87282022) has the molecular formula C18H23N3O4S and a molecular weight of 377.47 g/mol. Its IUPAC name is tert-butyl N-[4-(3-carbamoyl-2-hydroxyphenyl)-5-propan-2-yl-1,3-thiazol-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(3-carbamoyl-2-hydroxyphenyl)-5-propan-2-yl-1,3-thiazol-2-yl]carbamate
PubChem CID87282022
Molecular FormulaC18H23N3O4S
Molecular Weight377.47 g/mol
Exact Mass377.14
IUPAC Nametert-butyl N-[4-(3-carbamoyl-2-hydroxyphenyl)-5-propan-2-yl-1,3-thiazol-2-yl]carbamate
SMILESCC(C)c1sc(NC(=O)OC(C)(C)C)nc1-c1cccc(C(N)=O)c1O
InChIInChI=1S/C18H23N3O4S/c1-9(2)14-12(10-7-6-8-11(13(10)22)15(19)23)20-16(26-14)21-17(24)25-18(3,4)5/h6-9,22H,1-5H3,(H2,19,23)(H,20,21,24)
InChIKeyZHRZWSYPVVMQOK-UHFFFAOYSA-N
XLogP4.09
TPSA114.54 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 54.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(3-carbamoyl-2-hydroxyphenyl)-5-propan-2-yl-1,3-thiazol-2-yl]carbamate?
The IUPAC name of tert-butyl N-[4-(3-carbamoyl-2-hydroxyphenyl)-5-propan-2-yl-1,3-thiazol-2-yl]carbamate (CID 87282022) is tert-butyl N-[4-(3-carbamoyl-2-hydroxyphenyl)-5-propan-2-yl-1,3-thiazol-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[4-(3-carbamoyl-2-hydroxyphenyl)-5-propan-2-yl-1,3-thiazol-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[4-(3-carbamoyl-2-hydroxyphenyl)-5-propan-2-yl-1,3-thiazol-2-yl]carbamate is CC(C)c1sc(NC(=O)OC(C)(C)C)nc1-c1cccc(C(N)=O)c1O.
What is the InChIKey of tert-butyl N-[4-(3-carbamoyl-2-hydroxyphenyl)-5-propan-2-yl-1,3-thiazol-2-yl]carbamate?
The InChIKey is ZHRZWSYPVVMQOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4S/c1-9(2)14-12(10-7-6-8-11(13(10)22)15(19)23)20-16(26-14)21-17(24)25-18(3,4)5/h6-9,22H,1-5H3,(H2,19,23)(H,20,21,24).
What are the key properties of tert-butyl N-[4-(3-carbamoyl-2-hydroxyphenyl)-5-propan-2-yl-1,3-thiazol-2-yl]carbamate?
tert-butyl N-[4-(3-carbamoyl-2-hydroxyphenyl)-5-propan-2-yl-1,3-thiazol-2-yl]carbamate has a molecular weight of 377.47 g/mol, XLogP of 4.09, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-(3-carbamoyl-2-hydroxyphenyl)-5-propan-2-yl-1,3-thiazol-2-yl]carbamate is sourced from PubChem (CID 87282022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).