phenyl N-[4-(2-methoxyethoxymethyl)-1,3-thiazol-2-yl]carbamate

C14H16N2O4S — CID 86622750

IUPACphenyl N-[4-(2-methoxyethoxymethyl)-1,3-thiazol-2-yl]carbamate
SMILESCOCCOCc1csc(NC(=O)Oc2ccccc2)n1
InChIInChI=1S/C14H16N2O4S/c1-18-7-8-19-9-11-10-21-13(15-11)16-14(17)20-12-5-3-2-4-6-12/h2-6,10H,7-9H2,1H3,(H,15,16,17)
InChIKeyTXCVBKZQTOFOSI-UHFFFAOYSA-N
MW308.36 g/mol
LogP2.92
Rot. Bonds7

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

phenyl N-[4-(2-methoxyethoxymethyl)-1,3-thiazol-2-yl]carbamate (PubChem CID 86622750) has the molecular formula C14H16N2O4S and a molecular weight of 308.36 g/mol. Its IUPAC name is phenyl N-[4-(2-methoxyethoxymethyl)-1,3-thiazol-2-yl]carbamate.

Molecular Properties

Compound Namephenyl N-[4-(2-methoxyethoxymethyl)-1,3-thiazol-2-yl]carbamate
PubChem CID86622750
Molecular FormulaC14H16N2O4S
Molecular Weight308.36 g/mol
Exact Mass308.08
IUPAC Namephenyl N-[4-(2-methoxyethoxymethyl)-1,3-thiazol-2-yl]carbamate
SMILESCOCCOCc1csc(NC(=O)Oc2ccccc2)n1
InChIInChI=1S/C14H16N2O4S/c1-18-7-8-19-9-11-10-21-13(15-11)16-14(17)20-12-5-3-2-4-6-12/h2-6,10H,7-9H2,1H3,(H,15,16,17)
InChIKeyTXCVBKZQTOFOSI-UHFFFAOYSA-N
XLogP2.92
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[4-(methoxymethyl)-1,3-thiazol-2-yl]carbamic acid
CID 87285914
N-[4-(chloromethyl)-1,3-thiazol-2-yl]-2-(2-methoxyethoxy)acetamide
CID 108745935
4-methyl-1,3-thiazol-2-amine;phenyl N-(4-methyl-1,3-thiazol-2-yl)carbamate
CID 157237511
2-[2-[[2-(2-methoxyethoxy)acetyl]amino]-1,3-thiazol-4-yl]acetic acid
CID 43170611
phenyl N-(4-pyridin-4-yl-1,3-thiazol-2-yl)carbamate
CID 87406304
phenyl N-[4-[[(3,5-dimethyl-1,2-oxazole-4-carbonyl)-methylamino]methyl]-1,3-thiazol-2-yl]carbamate
CID 58055074
1-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-3-[4-(2-methoxyethoxymethyl)-1,3-thiazol-2-yl]urea
CID 25050874
2-methyl-N-[4-(phenoxymethyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide
CID 167925938
N-[4-[3-(2-methoxyethylamino)-3-oxopropyl]-1,3-thiazol-2-yl]benzamide
CID 42208483
2-benzyl-N-[4-(phenoxymethyl)-1,3-thiazol-2-yl]benzamide
CID 2476012
methyl 2-[2-(3-methoxypropanoylamino)-1,3-thiazol-4-yl]acetate
CID 62589885
1-[4-(methoxymethyl)-1,3-thiazol-2-yl]-3-(pyridin-2-ylmethyl)urea
CID 75464257

Frequently Asked Questions

What is the IUPAC name of phenyl N-[4-(2-methoxyethoxymethyl)-1,3-thiazol-2-yl]carbamate?
The IUPAC name of phenyl N-[4-(2-methoxyethoxymethyl)-1,3-thiazol-2-yl]carbamate (CID 86622750) is phenyl N-[4-(2-methoxyethoxymethyl)-1,3-thiazol-2-yl]carbamate.
What is the SMILES notation for phenyl N-[4-(2-methoxyethoxymethyl)-1,3-thiazol-2-yl]carbamate?
The canonical SMILES for phenyl N-[4-(2-methoxyethoxymethyl)-1,3-thiazol-2-yl]carbamate is COCCOCc1csc(NC(=O)Oc2ccccc2)n1.
What is the InChIKey of phenyl N-[4-(2-methoxyethoxymethyl)-1,3-thiazol-2-yl]carbamate?
The InChIKey is TXCVBKZQTOFOSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4S/c1-18-7-8-19-9-11-10-21-13(15-11)16-14(17)20-12-5-3-2-4-6-12/h2-6,10H,7-9H2,1H3,(H,15,16,17).
What are the key properties of phenyl N-[4-(2-methoxyethoxymethyl)-1,3-thiazol-2-yl]carbamate?
phenyl N-[4-(2-methoxyethoxymethyl)-1,3-thiazol-2-yl]carbamate has a molecular weight of 308.36 g/mol, XLogP of 2.92, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[4-(2-methoxyethoxymethyl)-1,3-thiazol-2-yl]carbamate is sourced from PubChem (CID 86622750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).