tert-butyl N-(5-amino-4-methyl-1,3-thiazol-2-yl)carbamate

C9H15N3O2S — CID 82342505

IUPACtert-butyl N-(5-amino-4-methyl-1,3-thiazol-2-yl)carbamate
SMILESCc1nc(NC(=O)OC(C)(C)C)sc1N
InChIInChI=1S/C9H15N3O2S/c1-5-6(10)15-7(11-5)12-8(13)14-9(2,3)4/h10H2,1-4H3,(H,11,12,13)
InChIKeyNPOWRZUVLTYPER-UHFFFAOYSA-N
MW229.30 g/mol
LogP2.38
Rot. Bonds1

About tert-butyl N-(5-amino-4-methyl-1,3-thiazol-2-yl)carbamate

tert-butyl N-(5-amino-4-methyl-1,3-thiazol-2-yl)carbamate (PubChem CID 82342505) has the molecular formula C9H15N3O2S and a molecular weight of 229.30 g/mol. Its IUPAC name is tert-butyl N-(5-amino-4-methyl-1,3-thiazol-2-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(5-amino-4-methyl-1,3-thiazol-2-yl)carbamate
PubChem CID82342505
Molecular FormulaC9H15N3O2S
Molecular Weight229.30 g/mol
Exact Mass229.09
IUPAC Nametert-butyl N-(5-amino-4-methyl-1,3-thiazol-2-yl)carbamate
SMILESCc1nc(NC(=O)OC(C)(C)C)sc1N
InChIInChI=1S/C9H15N3O2S/c1-5-6(10)15-7(11-5)12-8(13)14-9(2,3)4/h10H2,1-4H3,(H,11,12,13)
InChIKeyNPOWRZUVLTYPER-UHFFFAOYSA-N
XLogP2.38
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(5-amino-4-methyl-1,3-thiazol-2-yl)carbamate?
The IUPAC name of tert-butyl N-(5-amino-4-methyl-1,3-thiazol-2-yl)carbamate (CID 82342505) is tert-butyl N-(5-amino-4-methyl-1,3-thiazol-2-yl)carbamate.
What is the SMILES notation for tert-butyl N-(5-amino-4-methyl-1,3-thiazol-2-yl)carbamate?
The canonical SMILES for tert-butyl N-(5-amino-4-methyl-1,3-thiazol-2-yl)carbamate is Cc1nc(NC(=O)OC(C)(C)C)sc1N.
What is the InChIKey of tert-butyl N-(5-amino-4-methyl-1,3-thiazol-2-yl)carbamate?
The InChIKey is NPOWRZUVLTYPER-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2S/c1-5-6(10)15-7(11-5)12-8(13)14-9(2,3)4/h10H2,1-4H3,(H,11,12,13).
What are the key properties of tert-butyl N-(5-amino-4-methyl-1,3-thiazol-2-yl)carbamate?
tert-butyl N-(5-amino-4-methyl-1,3-thiazol-2-yl)carbamate has a molecular weight of 229.30 g/mol, XLogP of 2.38, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(5-amino-4-methyl-1,3-thiazol-2-yl)carbamate is sourced from PubChem (CID 82342505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).