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

C10H15N3O3S — CID 10868944

IUPACtert-butyl N-[(4-carbamoyl-1,3-thiazol-2-yl)methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1nc(C(N)=O)cs1
InChIInChI=1S/C10H15N3O3S/c1-10(2,3)16-9(15)12-4-7-13-6(5-17-7)8(11)14/h5H,4H2,1-3H3,(H2,11,14)(H,12,15)
InChIKeyUWJGCUCGARIICX-UHFFFAOYSA-N
MW257.31 g/mol
LogP1.27
Rot. Bonds3

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

tert-butyl N-[(4-carbamoyl-1,3-thiazol-2-yl)methyl]carbamate (PubChem CID 10868944) has the molecular formula C10H15N3O3S and a molecular weight of 257.31 g/mol. Its IUPAC name is tert-butyl N-[(4-carbamoyl-1,3-thiazol-2-yl)methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(4-carbamoyl-1,3-thiazol-2-yl)methyl]carbamate
PubChem CID10868944
Molecular FormulaC10H15N3O3S
Molecular Weight257.31 g/mol
Exact Mass257.08
IUPAC Nametert-butyl N-[(4-carbamoyl-1,3-thiazol-2-yl)methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1nc(C(N)=O)cs1
InChIInChI=1S/C10H15N3O3S/c1-10(2,3)16-9(15)12-4-7-13-6(5-17-7)8(11)14/h5H,4H2,1-3H3,(H2,11,14)(H,12,15)
InChIKeyUWJGCUCGARIICX-UHFFFAOYSA-N
XLogP1.27
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(((Tert-butoxycarbonyl)amino)methyl)thiazole-4-carboxylic acid
CID 10199046
Cobicistat metabolite M9.1
CID 69479782
2-ethynyl-N-prop-2-ynyl-1,3-thiazole-4-carboxamide
CID 168295957
methyl N-[2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-2-oxoethyl]carbamate
CID 51095277
tert-butyl N-[2-[3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]propanoylamino]ethyl]carbamate
CID 53617913
tert-butyl N-[1-[4-(hydrazinecarbonyl)thiazol-2-yl]ethyl]carbamate
CID 485036
tert-butyl N-[1-(4-carbamoylthiazol-2-yl)ethyl]carbamate
CID 485037
tert-butyl N-[1-(4-carbamoylthiazol-2-yl)-2-methyl-propyl]carbamate
CID 485042
tert-butyl N-[2-methyl-1-[4-(methylcarbamoyl)thiazol-2-yl]propyl]carbamate
CID 485043
Tert-butyl 2-(4-carbamoylthiazol-2-yl)pyrrolidine-1-carboxylate
CID 485046
Sodium 2-(2-{[(tert-butoxy)carbonyl]amino}ethyl)-1,3-thiazole-4-carboxylate
CID 75481763
tert-butyl N-((4-(aminomethyl)-1,3-thiazol-2-yl)methyl)carbamate
CID 83300651

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(4-carbamoyl-1,3-thiazol-2-yl)methyl]carbamate?
The IUPAC name of tert-butyl N-[(4-carbamoyl-1,3-thiazol-2-yl)methyl]carbamate (CID 10868944) is tert-butyl N-[(4-carbamoyl-1,3-thiazol-2-yl)methyl]carbamate.
What is the SMILES notation for tert-butyl N-[(4-carbamoyl-1,3-thiazol-2-yl)methyl]carbamate?
The canonical SMILES for tert-butyl N-[(4-carbamoyl-1,3-thiazol-2-yl)methyl]carbamate is CC(C)(C)OC(=O)NCc1nc(C(N)=O)cs1.
What is the InChIKey of tert-butyl N-[(4-carbamoyl-1,3-thiazol-2-yl)methyl]carbamate?
The InChIKey is UWJGCUCGARIICX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3S/c1-10(2,3)16-9(15)12-4-7-13-6(5-17-7)8(11)14/h5H,4H2,1-3H3,(H2,11,14)(H,12,15).
What are the key properties of tert-butyl N-[(4-carbamoyl-1,3-thiazol-2-yl)methyl]carbamate?
tert-butyl N-[(4-carbamoyl-1,3-thiazol-2-yl)methyl]carbamate has a molecular weight of 257.31 g/mol, XLogP of 1.27, 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-carbamoyl-1,3-thiazol-2-yl)methyl]carbamate is sourced from PubChem (CID 10868944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).