tert-butyl N-[(2-methyl-1,3-thiazol-5-yl)methyl]carbamate

C10H16N2O2S — CID 63789054

IUPACtert-butyl N-[(2-methyl-1,3-thiazol-5-yl)methyl]carbamate
SMILESCc1ncc(CNC(=O)OC(C)(C)C)s1
InChIInChI=1S/C10H16N2O2S/c1-7-11-5-8(15-7)6-12-9(13)14-10(2,3)4/h5H,6H2,1-4H3,(H,12,13)
InChIKeyTVWYDJHCPBTWKF-UHFFFAOYSA-N
MW228.32 g/mol
LogP2.48
Rot. Bonds2

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

tert-butyl N-[(2-methyl-1,3-thiazol-5-yl)methyl]carbamate (PubChem CID 63789054) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is tert-butyl N-[(2-methyl-1,3-thiazol-5-yl)methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2-methyl-1,3-thiazol-5-yl)methyl]carbamate
PubChem CID63789054
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC Nametert-butyl N-[(2-methyl-1,3-thiazol-5-yl)methyl]carbamate
SMILESCc1ncc(CNC(=O)OC(C)(C)C)s1
InChIInChI=1S/C10H16N2O2S/c1-7-11-5-8(15-7)6-12-9(13)14-10(2,3)4/h5H,6H2,1-4H3,(H,12,13)
InChIKeyTVWYDJHCPBTWKF-UHFFFAOYSA-N
XLogP2.48
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2-methyl-1,3-thiazol-5-yl)methyl]carbamate?
The IUPAC name of tert-butyl N-[(2-methyl-1,3-thiazol-5-yl)methyl]carbamate (CID 63789054) is tert-butyl N-[(2-methyl-1,3-thiazol-5-yl)methyl]carbamate.
What is the SMILES notation for tert-butyl N-[(2-methyl-1,3-thiazol-5-yl)methyl]carbamate?
The canonical SMILES for tert-butyl N-[(2-methyl-1,3-thiazol-5-yl)methyl]carbamate is Cc1ncc(CNC(=O)OC(C)(C)C)s1.
What is the InChIKey of tert-butyl N-[(2-methyl-1,3-thiazol-5-yl)methyl]carbamate?
The InChIKey is TVWYDJHCPBTWKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S/c1-7-11-5-8(15-7)6-12-9(13)14-10(2,3)4/h5H,6H2,1-4H3,(H,12,13).
What are the key properties of tert-butyl N-[(2-methyl-1,3-thiazol-5-yl)methyl]carbamate?
tert-butyl N-[(2-methyl-1,3-thiazol-5-yl)methyl]carbamate has a molecular weight of 228.32 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2-methyl-1,3-thiazol-5-yl)methyl]carbamate is sourced from PubChem (CID 63789054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).