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

C10H16N4O3S — CID 142470641

IUPACtert-butyl N-[2-[[(hydroxyamino)methylideneamino]methyl]-1,3-thiazol-4-yl]carbamate
SMILESCC(C)(C)OC(=O)Nc1csc(C/N=C/NO)n1
InChIInChI=1S/C10H16N4O3S/c1-10(2,3)17-9(15)14-7-5-18-8(13-7)4-11-6-12-16/h5-6,16H,4H2,1-3H3,(H,11,12)(H,14,15)
InChIKeyXMBYJEKVZXXCAH-UHFFFAOYSA-N
MW272.33 g/mol
LogP2.00
Rot. Bonds4

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

tert-butyl N-[2-[[(hydroxyamino)methylideneamino]methyl]-1,3-thiazol-4-yl]carbamate (PubChem CID 142470641) has the molecular formula C10H16N4O3S and a molecular weight of 272.33 g/mol. Its IUPAC name is tert-butyl N-[2-[[(hydroxyamino)methylideneamino]methyl]-1,3-thiazol-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[[(hydroxyamino)methylideneamino]methyl]-1,3-thiazol-4-yl]carbamate
PubChem CID142470641
Molecular FormulaC10H16N4O3S
Molecular Weight272.33 g/mol
Exact Mass272.09
IUPAC Nametert-butyl N-[2-[[(hydroxyamino)methylideneamino]methyl]-1,3-thiazol-4-yl]carbamate
SMILESCC(C)(C)OC(=O)Nc1csc(C/N=C/NO)n1
InChIInChI=1S/C10H16N4O3S/c1-10(2,3)17-9(15)14-7-5-18-8(13-7)4-11-6-12-16/h5-6,16H,4H2,1-3H3,(H,11,12)(H,14,15)
InChIKeyXMBYJEKVZXXCAH-UHFFFAOYSA-N
XLogP2.00
TPSA95.84 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze tert-butyl N-[2-[[(hydroxyamino)methylideneamino]methyl]-1,3-thiazol-4-yl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-(2-pyridin-4-yl-1,3-thiazol-4-yl)carbamate
CID 53241957
tert-butyl N-[2-[(5-chloro-2-phenylmethoxyphenyl)methyl]-1,3-thiazol-4-yl]carbamate
CID 59786415
tert-butyl N-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazin-2-yl]carbamate
CID 11012344
4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]butanoic acid
CID 18671420
tert-butyl N-[3-hydroxy-1-[(2-methyl-1,3-thiazol-4-yl)amino]-1-oxopropan-2-yl]carbamate
CID 174292799
tert-butyl N-[[4-(dihydroxymethyl)-1,3-thiazol-2-yl]methyl]carbamate
CID 146639722
[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl] formate
CID 88716756
tert-butyl N-[[4-(aminomethyl)-1,3-thiazol-2-yl]methyl]carbamate
CID 83300651
tert-butyl N-(4-propan-2-yl-1,3-thiazol-2-yl)carbamate
CID 65142790
tert-butyl N-[6-(methylamino)pyrimidin-4-yl]carbamate
CID 86086992
tert-butyl N-[4-[1-(hydroxyamino)-2-sulfanylideneethyl]-1,3-thiazol-2-yl]carbamate
CID 91224760
methyl-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]methyl]-oxophosphanium
CID 87420278

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[[(hydroxyamino)methylideneamino]methyl]-1,3-thiazol-4-yl]carbamate?
The IUPAC name of tert-butyl N-[2-[[(hydroxyamino)methylideneamino]methyl]-1,3-thiazol-4-yl]carbamate (CID 142470641) is tert-butyl N-[2-[[(hydroxyamino)methylideneamino]methyl]-1,3-thiazol-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[[(hydroxyamino)methylideneamino]methyl]-1,3-thiazol-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[2-[[(hydroxyamino)methylideneamino]methyl]-1,3-thiazol-4-yl]carbamate is CC(C)(C)OC(=O)Nc1csc(C/N=C/NO)n1.
What is the InChIKey of tert-butyl N-[2-[[(hydroxyamino)methylideneamino]methyl]-1,3-thiazol-4-yl]carbamate?
The InChIKey is XMBYJEKVZXXCAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3S/c1-10(2,3)17-9(15)14-7-5-18-8(13-7)4-11-6-12-16/h5-6,16H,4H2,1-3H3,(H,11,12)(H,14,15).
What are the key properties of tert-butyl N-[2-[[(hydroxyamino)methylideneamino]methyl]-1,3-thiazol-4-yl]carbamate?
tert-butyl N-[2-[[(hydroxyamino)methylideneamino]methyl]-1,3-thiazol-4-yl]carbamate has a molecular weight of 272.33 g/mol, XLogP of 2.00, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[[(hydroxyamino)methylideneamino]methyl]-1,3-thiazol-4-yl]carbamate is sourced from PubChem (CID 142470641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).