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

C13H14N2O2S — CID 61066753

IUPACphenyl N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]carbamate
SMILESCc1ncc(CN(C)C(=O)Oc2ccccc2)s1
InChIInChI=1S/C13H14N2O2S/c1-10-14-8-12(18-10)9-15(2)13(16)17-11-6-4-3-5-7-11/h3-8H,9H2,1-2H3
InChIKeyUUNLOSKDELREQQ-UHFFFAOYSA-N
MW262.33 g/mol
LogP3.08
Rot. Bonds3

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

phenyl N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]carbamate (PubChem CID 61066753) has the molecular formula C13H14N2O2S and a molecular weight of 262.33 g/mol. Its IUPAC name is phenyl N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]carbamate.

Molecular Properties

Compound Namephenyl N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]carbamate
PubChem CID61066753
Molecular FormulaC13H14N2O2S
Molecular Weight262.33 g/mol
Exact Mass262.08
IUPAC Namephenyl N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]carbamate
SMILESCc1ncc(CN(C)C(=O)Oc2ccccc2)s1
InChIInChI=1S/C13H14N2O2S/c1-10-14-8-12(18-10)9-15(2)13(16)17-11-6-4-3-5-7-11/h3-8H,9H2,1-2H3
InChIKeyUUNLOSKDELREQQ-UHFFFAOYSA-N
XLogP3.08
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of phenyl N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]carbamate?
The IUPAC name of phenyl N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]carbamate (CID 61066753) is phenyl N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]carbamate.
What is the SMILES notation for phenyl N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]carbamate?
The canonical SMILES for phenyl N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]carbamate is Cc1ncc(CN(C)C(=O)Oc2ccccc2)s1.
What is the InChIKey of phenyl N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]carbamate?
The InChIKey is UUNLOSKDELREQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S/c1-10-14-8-12(18-10)9-15(2)13(16)17-11-6-4-3-5-7-11/h3-8H,9H2,1-2H3.
What are the key properties of phenyl N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]carbamate?
phenyl N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]carbamate has a molecular weight of 262.33 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]carbamate is sourced from PubChem (CID 61066753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).