[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl] formate

C9H12N2O4S — CID 88716756

IUPAC[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl] formate
SMILESCC(C)(C)OC(=O)Nc1nc(OC=O)cs1
InChIInChI=1S/C9H12N2O4S/c1-9(2,3)15-8(13)11-7-10-6(4-16-7)14-5-12/h4-5H,1-3H3,(H,10,11,13)
InChIKeyJCLVTNUQDGOYQA-UHFFFAOYSA-N
MW244.27 g/mol
LogP2.03
Rot. Bonds3

About [2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl] formate

[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl] formate (PubChem CID 88716756) has the molecular formula C9H12N2O4S and a molecular weight of 244.27 g/mol. Its IUPAC name is [2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl] formate.

Molecular Properties

Compound Name[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl] formate
PubChem CID88716756
Molecular FormulaC9H12N2O4S
Molecular Weight244.27 g/mol
Exact Mass244.05
IUPAC Name[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl] formate
SMILESCC(C)(C)OC(=O)Nc1nc(OC=O)cs1
InChIInChI=1S/C9H12N2O4S/c1-9(2,3)15-8(13)11-7-10-6(4-16-7)14-5-12/h4-5H,1-3H3,(H,10,11,13)
InChIKeyJCLVTNUQDGOYQA-UHFFFAOYSA-N
XLogP2.03
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.27
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[4-[(E)-1-oxobut-2-en-2-yl]-1,3-thiazol-2-yl]carbamate
CID 88680289
tert-butyl N-(4-propan-2-yl-1,3-thiazol-2-yl)carbamate
CID 65142790
(E)-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]pent-3-enoic acid
CID 175674599
tert-butyl N-[4-[2-(methylamino)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate
CID 176721040
propan-2-yl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazole-4-carboxylate
CID 133058956
methyl-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]methyl]-oxophosphanium
CID 87420278
tert-butyl N-[4-[1-(hydroxyamino)-2-sulfanylideneethyl]-1,3-thiazol-2-yl]carbamate
CID 91224760
[2-(propan-2-ylamino)-1,3-thiazol-4-yl] formate
CID 58545567
3-methoxy-4-[(2-methylpropan-2-yl)oxy]-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]-4-oxobut-2-enoic acid
CID 154331598
(Z)-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]pent-2-enoic acid
CID 10334852
4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]butanoic acid
CID 18671420
tert-butyl N-[4-(phenylcarbamoyl)-1,3-thiazol-2-yl]carbamate
CID 134297257

Frequently Asked Questions

What is the IUPAC name of [2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl] formate?
The IUPAC name of [2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl] formate (CID 88716756) is [2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl] formate.
What is the SMILES notation for [2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl] formate?
The canonical SMILES for [2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl] formate is CC(C)(C)OC(=O)Nc1nc(OC=O)cs1.
What is the InChIKey of [2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl] formate?
The InChIKey is JCLVTNUQDGOYQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O4S/c1-9(2,3)15-8(13)11-7-10-6(4-16-7)14-5-12/h4-5H,1-3H3,(H,10,11,13).
What are the key properties of [2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl] formate?
[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl] formate has a molecular weight of 244.27 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl] formate is sourced from PubChem (CID 88716756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).