phenyl N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]carbamate

C13H14N2O2S — CID 110739115

IUPACphenyl N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]carbamate
SMILESCc1nc(CNC(=O)Oc2ccccc2)sc1C
InChIInChI=1S/C13H14N2O2S/c1-9-10(2)18-12(15-9)8-14-13(16)17-11-6-4-3-5-7-11/h3-7H,8H2,1-2H3,(H,14,16)
InChIKeyLRHJZLSDTAVDJR-UHFFFAOYSA-N
MW262.33 g/mol
LogP3.05
Rot. Bonds3

About phenyl N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]carbamate

phenyl N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]carbamate (PubChem CID 110739115) has the molecular formula C13H14N2O2S and a molecular weight of 262.33 g/mol. Its IUPAC name is phenyl N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]carbamate.

Molecular Properties

Compound Namephenyl N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]carbamate
PubChem CID110739115
Molecular FormulaC13H14N2O2S
Molecular Weight262.33 g/mol
Exact Mass262.08
IUPAC Namephenyl N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]carbamate
SMILESCc1nc(CNC(=O)Oc2ccccc2)sc1C
InChIInChI=1S/C13H14N2O2S/c1-9-10(2)18-12(15-9)8-14-13(16)17-11-6-4-3-5-7-11/h3-7H,8H2,1-2H3,(H,14,16)
InChIKeyLRHJZLSDTAVDJR-UHFFFAOYSA-N
XLogP3.05
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]benzamide
CID 58883688
N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-phenylpropanamide
CID 110441535
N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)methylamino]-2-oxoethyl]benzamide
CID 110443135
N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-4-methoxybenzamide
CID 110440268
N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-(2-methoxyphenyl)acetamide
CID 110446475
phenyl N-[(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]carbamate
CID 110401105
phenyl N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)carbamate
CID 110401742
4-[[(4,5-dimethyl-1,3-thiazol-2-yl)methylcarbamoylamino]methyl]benzoic acid
CID 122004521
2-[3-[(4,5-dimethyl-1,3-thiazol-2-yl)methylamino]-3-oxopropyl]benzoic acid
CID 120550517
3-[(4,5-dimethyl-1,3-thiazol-2-yl)methylamino]-2-methyl-3-oxopropanoic acid
CID 122065703
2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-phenylethanone;hydrobromide
CID 174879579
N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3,5-dimethoxybenzamide
CID 110444729

Frequently Asked Questions

What is the IUPAC name of phenyl N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]carbamate?
The IUPAC name of phenyl N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]carbamate (CID 110739115) is phenyl N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]carbamate.
What is the SMILES notation for phenyl N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]carbamate?
The canonical SMILES for phenyl N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]carbamate is Cc1nc(CNC(=O)Oc2ccccc2)sc1C.
What is the InChIKey of phenyl N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]carbamate?
The InChIKey is LRHJZLSDTAVDJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S/c1-9-10(2)18-12(15-9)8-14-13(16)17-11-6-4-3-5-7-11/h3-7H,8H2,1-2H3,(H,14,16).
What are the key properties of phenyl N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]carbamate?
phenyl N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]carbamate has a molecular weight of 262.33 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]carbamate is sourced from PubChem (CID 110739115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).