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

C10H13N3O2S — CID 75412064

IUPACtert-butyl N-(5-cyano-4-methyl-1,3-thiazol-2-yl)carbamate
SMILESCc1nc(NC(=O)OC(C)(C)C)sc1C#N
InChIInChI=1S/C10H13N3O2S/c1-6-7(5-11)16-8(12-6)13-9(14)15-10(2,3)4/h1-4H3,(H,12,13,14)
InChIKeyXDBJYBZATRIJLN-UHFFFAOYSA-N
MW239.30 g/mol
LogP2.67
Rot. Bonds1

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

tert-butyl N-(5-cyano-4-methyl-1,3-thiazol-2-yl)carbamate (PubChem CID 75412064) has the molecular formula C10H13N3O2S and a molecular weight of 239.30 g/mol. Its IUPAC name is tert-butyl N-(5-cyano-4-methyl-1,3-thiazol-2-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(5-cyano-4-methyl-1,3-thiazol-2-yl)carbamate
PubChem CID75412064
Molecular FormulaC10H13N3O2S
Molecular Weight239.30 g/mol
Exact Mass239.07
IUPAC Nametert-butyl N-(5-cyano-4-methyl-1,3-thiazol-2-yl)carbamate
SMILESCc1nc(NC(=O)OC(C)(C)C)sc1C#N
InChIInChI=1S/C10H13N3O2S/c1-6-7(5-11)16-8(12-6)13-9(14)15-10(2,3)4/h1-4H3,(H,12,13,14)
InChIKeyXDBJYBZATRIJLN-UHFFFAOYSA-N
XLogP2.67
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

CID 45117835
CID 45117835
CID 151355104
CID 151355104
CID 53619519
CID 53619519
CID 165623461
CID 165623461
CID 45117848
CID 45117848
CID 57855241
CID 57855241
CID 58327488
CID 58327488
CID 82342505
CID 82342505
CID 86630949
CID 86630949
CID 86630950
CID 86630950
CID 86630951
CID 86630951
CID 86630952
CID 86630952

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(5-cyano-4-methyl-1,3-thiazol-2-yl)carbamate?
The IUPAC name of tert-butyl N-(5-cyano-4-methyl-1,3-thiazol-2-yl)carbamate (CID 75412064) is tert-butyl N-(5-cyano-4-methyl-1,3-thiazol-2-yl)carbamate.
What is the SMILES notation for tert-butyl N-(5-cyano-4-methyl-1,3-thiazol-2-yl)carbamate?
The canonical SMILES for tert-butyl N-(5-cyano-4-methyl-1,3-thiazol-2-yl)carbamate is Cc1nc(NC(=O)OC(C)(C)C)sc1C#N.
What is the InChIKey of tert-butyl N-(5-cyano-4-methyl-1,3-thiazol-2-yl)carbamate?
The InChIKey is XDBJYBZATRIJLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2S/c1-6-7(5-11)16-8(12-6)13-9(14)15-10(2,3)4/h1-4H3,(H,12,13,14).
What are the key properties of tert-butyl N-(5-cyano-4-methyl-1,3-thiazol-2-yl)carbamate?
tert-butyl N-(5-cyano-4-methyl-1,3-thiazol-2-yl)carbamate has a molecular weight of 239.30 g/mol, XLogP of 2.67, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(5-cyano-4-methyl-1,3-thiazol-2-yl)carbamate is sourced from PubChem (CID 75412064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).