tert-butyl N-[5-(1-methylimidazol-2-yl)thiophen-2-yl]carbamate

C13H17N3O2S — CID 131057383

IUPACtert-butyl N-[5-(1-methylimidazol-2-yl)thiophen-2-yl]carbamate
SMILESCn1ccnc1-c1ccc(NC(=O)OC(C)(C)C)s1
InChIInChI=1S/C13H17N3O2S/c1-13(2,3)18-12(17)15-10-6-5-9(19-10)11-14-7-8-16(11)4/h5-8H,1-4H3,(H,15,17)
InChIKeyYGUAUMSLYDWXNZ-UHFFFAOYSA-N
MW279.37 g/mol
LogP3.50
Rot. Bonds2

About tert-butyl N-[5-(1-methylimidazol-2-yl)thiophen-2-yl]carbamate

tert-butyl N-[5-(1-methylimidazol-2-yl)thiophen-2-yl]carbamate (PubChem CID 131057383) has the molecular formula C13H17N3O2S and a molecular weight of 279.37 g/mol. Its IUPAC name is tert-butyl N-[5-(1-methylimidazol-2-yl)thiophen-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[5-(1-methylimidazol-2-yl)thiophen-2-yl]carbamate
PubChem CID131057383
Molecular FormulaC13H17N3O2S
Molecular Weight279.37 g/mol
Exact Mass279.10
IUPAC Nametert-butyl N-[5-(1-methylimidazol-2-yl)thiophen-2-yl]carbamate
SMILESCn1ccnc1-c1ccc(NC(=O)OC(C)(C)C)s1
InChIInChI=1S/C13H17N3O2S/c1-13(2,3)18-12(17)15-10-6-5-9(19-10)11-14-7-8-16(11)4/h5-8H,1-4H3,(H,15,17)
InChIKeyYGUAUMSLYDWXNZ-UHFFFAOYSA-N
XLogP3.50
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[2-(1-methylimidazol-2-yl)phenyl]carbamate
CID 67263638
tert-butyl N-(5-chlorothiophen-2-yl)carbamate
CID 11601095
tert-butyl N-(2-pyridin-4-yl-1,3-thiazol-5-yl)carbamate
CID 130690764
tert-butyl N-(4,5-dimethylthiophen-2-yl)carbamate
CID 71755375
tert-butyl N-imidazo[1,2-a]pyridin-6-ylcarbamate
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tert-butyl N-(3-bromo-5-methylthiophen-2-yl)carbamate;tert-butyl N-(5-methylthiophen-2-yl)carbamate
CID 159564080
tert-butyl N-[2-fluoro-5-[(1-methylimidazol-2-yl)methylamino]phenyl]carbamate
CID 107240649
tert-butyl N-[4-[(1-ethylimidazol-2-yl)methylamino]phenyl]carbamate
CID 103756740
tert-butyl N-[2-[[4-[(1-methylimidazol-2-yl)sulfanylmethyl]benzoyl]amino]phenyl]carbamate
CID 68690327
tert-butyl N-[2-[1-(1-methylimidazol-2-yl)ethylamino]ethyl]carbamate
CID 103913862
tert-butyl N-(6-amino-2-methyl-3-pyridinyl)carbamate
CID 82342800
tert-butyl N-(1-methyl-2-oxo-4-pyridinyl)carbamate
CID 91971207

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[5-(1-methylimidazol-2-yl)thiophen-2-yl]carbamate?
The IUPAC name of tert-butyl N-[5-(1-methylimidazol-2-yl)thiophen-2-yl]carbamate (CID 131057383) is tert-butyl N-[5-(1-methylimidazol-2-yl)thiophen-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[5-(1-methylimidazol-2-yl)thiophen-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[5-(1-methylimidazol-2-yl)thiophen-2-yl]carbamate is Cn1ccnc1-c1ccc(NC(=O)OC(C)(C)C)s1.
What is the InChIKey of tert-butyl N-[5-(1-methylimidazol-2-yl)thiophen-2-yl]carbamate?
The InChIKey is YGUAUMSLYDWXNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S/c1-13(2,3)18-12(17)15-10-6-5-9(19-10)11-14-7-8-16(11)4/h5-8H,1-4H3,(H,15,17).
What are the key properties of tert-butyl N-[5-(1-methylimidazol-2-yl)thiophen-2-yl]carbamate?
tert-butyl N-[5-(1-methylimidazol-2-yl)thiophen-2-yl]carbamate has a molecular weight of 279.37 g/mol, XLogP of 3.50, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[5-(1-methylimidazol-2-yl)thiophen-2-yl]carbamate is sourced from PubChem (CID 131057383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).