tert-butyl N-(4-cyano-1,3-thiazol-2-yl)-N-methylcarbamate

C10H13N3O2S — CID 142043037

IUPACtert-butyl N-(4-cyano-1,3-thiazol-2-yl)-N-methylcarbamate
SMILESCN(C(=O)OC(C)(C)C)c1nc(C#N)cs1
InChIInChI=1S/C10H13N3O2S/c1-10(2,3)15-9(14)13(4)8-12-7(5-11)6-16-8/h6H,1-4H3
InChIKeyPBNVJMWIRYQLOV-UHFFFAOYSA-N
MW239.30 g/mol
LogP2.39
Rot. Bonds1

About tert-butyl N-(4-cyano-1,3-thiazol-2-yl)-N-methylcarbamate

tert-butyl N-(4-cyano-1,3-thiazol-2-yl)-N-methylcarbamate (PubChem CID 142043037) has the molecular formula C10H13N3O2S and a molecular weight of 239.30 g/mol. Its IUPAC name is tert-butyl N-(4-cyano-1,3-thiazol-2-yl)-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-(4-cyano-1,3-thiazol-2-yl)-N-methylcarbamate
PubChem CID142043037
Molecular FormulaC10H13N3O2S
Molecular Weight239.30 g/mol
Exact Mass239.07
IUPAC Nametert-butyl N-(4-cyano-1,3-thiazol-2-yl)-N-methylcarbamate
SMILESCN(C(=O)OC(C)(C)C)c1nc(C#N)cs1
InChIInChI=1S/C10H13N3O2S/c1-10(2,3)15-9(14)13(4)8-12-7(5-11)6-16-8/h6H,1-4H3
InChIKeyPBNVJMWIRYQLOV-UHFFFAOYSA-N
XLogP2.39
TPSA66.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 118903000
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CID 141414336
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CID 168889962
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CID 169228382
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CID 173910006
CID 173910006

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(4-cyano-1,3-thiazol-2-yl)-N-methylcarbamate?
The IUPAC name of tert-butyl N-(4-cyano-1,3-thiazol-2-yl)-N-methylcarbamate (CID 142043037) is tert-butyl N-(4-cyano-1,3-thiazol-2-yl)-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-(4-cyano-1,3-thiazol-2-yl)-N-methylcarbamate?
The canonical SMILES for tert-butyl N-(4-cyano-1,3-thiazol-2-yl)-N-methylcarbamate is CN(C(=O)OC(C)(C)C)c1nc(C#N)cs1.
What is the InChIKey of tert-butyl N-(4-cyano-1,3-thiazol-2-yl)-N-methylcarbamate?
The InChIKey is PBNVJMWIRYQLOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2S/c1-10(2,3)15-9(14)13(4)8-12-7(5-11)6-16-8/h6H,1-4H3.
What are the key properties of tert-butyl N-(4-cyano-1,3-thiazol-2-yl)-N-methylcarbamate?
tert-butyl N-(4-cyano-1,3-thiazol-2-yl)-N-methylcarbamate has a molecular weight of 239.30 g/mol, XLogP of 2.39, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(4-cyano-1,3-thiazol-2-yl)-N-methylcarbamate is sourced from PubChem (CID 142043037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).