tert-butyl-[[(1R)-1-[5-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-thiazol-2-yl]ethyl]amino]-oxidosulfanium

C14H24N2O3S2 — CID 173069030

IUPACtert-butyl-[[(1R)-1-[5-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-thiazol-2-yl]ethyl]amino]-oxidosulfanium
SMILESC[C@@H](N[S+]([O-])C(C)(C)C)c1ncc(C(=O)OC(C)(C)C)s1
InChIInChI=1S/C14H24N2O3S2/c1-9(16-21(18)14(5,6)7)11-15-8-10(20-11)12(17)19-13(2,3)4/h8-9,16H,1-7H3/t9-,21?/m1/s1
InChIKeyPNQHNBWWGFJLPG-AVBQWDGQSA-N
MW332.49 g/mol
LogP3.21
Rot. Bonds4

About tert-butyl-[[(1R)-1-[5-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-thiazol-2-yl]ethyl]amino]-oxidosulfanium

tert-butyl-[[(1R)-1-[5-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-thiazol-2-yl]ethyl]amino]-oxidosulfanium (PubChem CID 173069030) has the molecular formula C14H24N2O3S2 and a molecular weight of 332.49 g/mol. Its IUPAC name is tert-butyl-[[(1R)-1-[5-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-thiazol-2-yl]ethyl]amino]-oxidosulfanium.

Molecular Properties

Compound Nametert-butyl-[[(1R)-1-[5-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-thiazol-2-yl]ethyl]amino]-oxidosulfanium
PubChem CID173069030
Molecular FormulaC14H24N2O3S2
Molecular Weight332.49 g/mol
Exact Mass332.12
IUPAC Nametert-butyl-[[(1R)-1-[5-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-thiazol-2-yl]ethyl]amino]-oxidosulfanium
SMILESC[C@@H](N[S+]([O-])C(C)(C)C)c1ncc(C(=O)OC(C)(C)C)s1
InChIInChI=1S/C14H24N2O3S2/c1-9(16-21(18)14(5,6)7)11-15-8-10(20-11)12(17)19-13(2,3)4/h8-9,16H,1-7H3/t9-,21?/m1/s1
InChIKeyPNQHNBWWGFJLPG-AVBQWDGQSA-N
XLogP3.21
TPSA74.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze tert-butyl-[[(1R)-1-[5-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-thiazol-2-yl]ethyl]amino]-oxidosulfanium 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

2-[(1R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-thiazole-5-carboxylic acid
CID 124567722
tert-butyl N-[(1R)-2-methyl-1-(5-propanoyl-1,3-thiazol-2-yl)propyl]carbamate
CID 143290632
[1-(1,3-benzothiazol-2-yl)ethylamino]-tert-butyl-oxidosulfanium
CID 175060036
tert-butyl 2-(3-methoxybut-3-enylamino)-1,3-thiazole-5-carboxylate
CID 170222019
tert-butyl 2-(dimethylaminomethylideneamino)-1,3-thiazole-5-carboxylate
CID 3738801
tert-butyl 2-chloro-1,3-thiazole-5-carboxylate;2-methoxy-1,3-thiazole-5-carboxylic acid
CID 158791708
tert-butyl N-[(1R)-1-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]carbamate
CID 134338437
methyl 2-[(1S)-1-[[(2S)-3-cyclopentyl-2-methylpropanoyl]amino]ethyl]-1,3-thiazole-5-carboxylate
CID 126422922
methyl 2-[(1R)-1-(phenylmethoxycarbonylamino)ethyl]-1,3-thiazole-5-carboxylate
CID 86336679
methyl 2-[(1R)-1-[[(2S)-3-cyclopentyl-2-methylpropanoyl]amino]ethyl]-1,3-thiazole-5-carboxylate
CID 126422923
N-hydroxy-2-[(1R)-1-[(4-methoxybenzoyl)amino]ethyl]-1,3-thiazole-5-carboxamide
CID 58418143
2-[(2-methylpropan-2-yl)oxy]-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]acetamide
CID 112629805

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[(1R)-1-[5-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-thiazol-2-yl]ethyl]amino]-oxidosulfanium?
The IUPAC name of tert-butyl-[[(1R)-1-[5-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-thiazol-2-yl]ethyl]amino]-oxidosulfanium (CID 173069030) is tert-butyl-[[(1R)-1-[5-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-thiazol-2-yl]ethyl]amino]-oxidosulfanium.
What is the SMILES notation for tert-butyl-[[(1R)-1-[5-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-thiazol-2-yl]ethyl]amino]-oxidosulfanium?
The canonical SMILES for tert-butyl-[[(1R)-1-[5-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-thiazol-2-yl]ethyl]amino]-oxidosulfanium is C[C@@H](N[S+]([O-])C(C)(C)C)c1ncc(C(=O)OC(C)(C)C)s1.
What is the InChIKey of tert-butyl-[[(1R)-1-[5-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-thiazol-2-yl]ethyl]amino]-oxidosulfanium?
The InChIKey is PNQHNBWWGFJLPG-AVBQWDGQSA-N. The full InChI is InChI=1S/C14H24N2O3S2/c1-9(16-21(18)14(5,6)7)11-15-8-10(20-11)12(17)19-13(2,3)4/h8-9,16H,1-7H3/t9-,21?/m1/s1.
What are the key properties of tert-butyl-[[(1R)-1-[5-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-thiazol-2-yl]ethyl]amino]-oxidosulfanium?
tert-butyl-[[(1R)-1-[5-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-thiazol-2-yl]ethyl]amino]-oxidosulfanium has a molecular weight of 332.49 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(1R)-1-[5-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-thiazol-2-yl]ethyl]amino]-oxidosulfanium is sourced from PubChem (CID 173069030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).