ethyl N-[4-(1,3-thiazol-4-ylmethylamino)phenyl]carbamate

C13H15N3O2S — CID 61169060

IUPACethyl N-[4-(1,3-thiazol-4-ylmethylamino)phenyl]carbamate
SMILESCCOC(=O)Nc1ccc(NCc2cscn2)cc1
InChIInChI=1S/C13H15N3O2S/c1-2-18-13(17)16-11-5-3-10(4-6-11)14-7-12-8-19-9-15-12/h3-6,8-9,14H,2,7H2,1H3,(H,16,17)
InChIKeyJOKQOYLQUMHGHE-UHFFFAOYSA-N
MW277.35 g/mol
LogP3.32
Rot. Bonds5

About ethyl N-[4-(1,3-thiazol-4-ylmethylamino)phenyl]carbamate

ethyl N-[4-(1,3-thiazol-4-ylmethylamino)phenyl]carbamate (PubChem CID 61169060) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is ethyl N-[4-(1,3-thiazol-4-ylmethylamino)phenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[4-(1,3-thiazol-4-ylmethylamino)phenyl]carbamate
PubChem CID61169060
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC Nameethyl N-[4-(1,3-thiazol-4-ylmethylamino)phenyl]carbamate
SMILESCCOC(=O)Nc1ccc(NCc2cscn2)cc1
InChIInChI=1S/C13H15N3O2S/c1-2-18-13(17)16-11-5-3-10(4-6-11)14-7-12-8-19-9-15-12/h3-6,8-9,14H,2,7H2,1H3,(H,16,17)
InChIKeyJOKQOYLQUMHGHE-UHFFFAOYSA-N
XLogP3.32
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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ethyl 2-(1,3-thiazol-4-ylmethylamino)pyridine-3-carboxylate
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ethyl N-[4-[(4-bromophenyl)methylamino]phenyl]carbamate
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ethyl N-(4-tert-butylphenyl)carbamate
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2-amino-5-(1,3-thiazol-4-ylmethylamino)benzamide
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Frequently Asked Questions

What is the IUPAC name of ethyl N-[4-(1,3-thiazol-4-ylmethylamino)phenyl]carbamate?
The IUPAC name of ethyl N-[4-(1,3-thiazol-4-ylmethylamino)phenyl]carbamate (CID 61169060) is ethyl N-[4-(1,3-thiazol-4-ylmethylamino)phenyl]carbamate.
What is the SMILES notation for ethyl N-[4-(1,3-thiazol-4-ylmethylamino)phenyl]carbamate?
The canonical SMILES for ethyl N-[4-(1,3-thiazol-4-ylmethylamino)phenyl]carbamate is CCOC(=O)Nc1ccc(NCc2cscn2)cc1.
What is the InChIKey of ethyl N-[4-(1,3-thiazol-4-ylmethylamino)phenyl]carbamate?
The InChIKey is JOKQOYLQUMHGHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c1-2-18-13(17)16-11-5-3-10(4-6-11)14-7-12-8-19-9-15-12/h3-6,8-9,14H,2,7H2,1H3,(H,16,17).
What are the key properties of ethyl N-[4-(1,3-thiazol-4-ylmethylamino)phenyl]carbamate?
ethyl N-[4-(1,3-thiazol-4-ylmethylamino)phenyl]carbamate has a molecular weight of 277.35 g/mol, XLogP of 3.32, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[4-(1,3-thiazol-4-ylmethylamino)phenyl]carbamate is sourced from PubChem (CID 61169060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).