[2-[4-(2-acetamido-1,3-thiazol-4-yl)phenyl]ethylamino] carbamate

C14H16N4O3S — CID 87993044

IUPAC[2-[4-(2-acetamido-1,3-thiazol-4-yl)phenyl]ethylamino] carbamate
SMILESCC(=O)Nc1nc(-c2ccc(CCNOC(N)=O)cc2)cs1
InChIInChI=1S/C14H16N4O3S/c1-9(19)17-14-18-12(8-22-14)11-4-2-10(3-5-11)6-7-16-21-13(15)20/h2-5,8,16H,6-7H2,1H3,(H2,15,20)(H,17,18,19)
InChIKeyAMADUUFPSMGGFE-UHFFFAOYSA-N
MW320.37 g/mol
LogP1.91
Rot. Bonds6

About [2-[4-(2-acetamido-1,3-thiazol-4-yl)phenyl]ethylamino] carbamate

[2-[4-(2-acetamido-1,3-thiazol-4-yl)phenyl]ethylamino] carbamate (PubChem CID 87993044) has the molecular formula C14H16N4O3S and a molecular weight of 320.37 g/mol. Its IUPAC name is [2-[4-(2-acetamido-1,3-thiazol-4-yl)phenyl]ethylamino] carbamate.

Molecular Properties

Compound Name[2-[4-(2-acetamido-1,3-thiazol-4-yl)phenyl]ethylamino] carbamate
PubChem CID87993044
Molecular FormulaC14H16N4O3S
Molecular Weight320.37 g/mol
Exact Mass320.09
IUPAC Name[2-[4-(2-acetamido-1,3-thiazol-4-yl)phenyl]ethylamino] carbamate
SMILESCC(=O)Nc1nc(-c2ccc(CCNOC(N)=O)cc2)cs1
InChIInChI=1S/C14H16N4O3S/c1-9(19)17-14-18-12(8-22-14)11-4-2-10(3-5-11)6-7-16-21-13(15)20/h2-5,8,16H,6-7H2,1H3,(H2,15,20)(H,17,18,19)
InChIKeyAMADUUFPSMGGFE-UHFFFAOYSA-N
XLogP1.91
TPSA106.34 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[4-(4-amino-3-oxobutyl)phenyl]-1,3-thiazol-2-yl]acetamide
CID 86616168
N-[4-[4-(2-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-5-acetylthiophene-2-carboxamide
CID 18127750
N-[4-[4-(3-acetamidopropyl)phenyl]-1,3-thiazol-2-yl]-2-aminoacetamide;hydrochloride
CID 119271984
4-N-[4-[4-(3-acetamidopropyl)phenyl]-1,3-thiazol-2-yl]benzene-1,4-dicarboxamide
CID 112773146
N-[4-[4-(2-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 17410318
2-[4-(2-acetamido-1,3-thiazol-4-yl)phenyl]ethyliminomethylcarbamic acid
CID 87741097
(1S)-N-[4-[4-(2-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-2,2-dichlorocyclopropane-1-carboxamide
CID 31933611
ethyl N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]carbamate
CID 108739772
N-[4-[4-(3-acetamidopropyl)phenyl]-1,3-thiazol-2-yl]-4-amino-3-methoxybutanamide;hydrochloride
CID 120587262
N-[4-[4-(3-acetamidopropyl)phenyl]-1,3-thiazol-2-yl]-4-methylthiadiazole-5-carboxamide
CID 112773417
N-[4-[4-(3-acetamidopropyl)phenyl]-1,3-thiazol-2-yl]hexanamide
CID 55382237
N-[4-[4-[(2S)-butan-2-yl]phenyl]-1,3-thiazol-2-yl]acetamide
CID 898173

Frequently Asked Questions

What is the IUPAC name of [2-[4-(2-acetamido-1,3-thiazol-4-yl)phenyl]ethylamino] carbamate?
The IUPAC name of [2-[4-(2-acetamido-1,3-thiazol-4-yl)phenyl]ethylamino] carbamate (CID 87993044) is [2-[4-(2-acetamido-1,3-thiazol-4-yl)phenyl]ethylamino] carbamate.
What is the SMILES notation for [2-[4-(2-acetamido-1,3-thiazol-4-yl)phenyl]ethylamino] carbamate?
The canonical SMILES for [2-[4-(2-acetamido-1,3-thiazol-4-yl)phenyl]ethylamino] carbamate is CC(=O)Nc1nc(-c2ccc(CCNOC(N)=O)cc2)cs1.
What is the InChIKey of [2-[4-(2-acetamido-1,3-thiazol-4-yl)phenyl]ethylamino] carbamate?
The InChIKey is AMADUUFPSMGGFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3S/c1-9(19)17-14-18-12(8-22-14)11-4-2-10(3-5-11)6-7-16-21-13(15)20/h2-5,8,16H,6-7H2,1H3,(H2,15,20)(H,17,18,19).
What are the key properties of [2-[4-(2-acetamido-1,3-thiazol-4-yl)phenyl]ethylamino] carbamate?
[2-[4-(2-acetamido-1,3-thiazol-4-yl)phenyl]ethylamino] carbamate has a molecular weight of 320.37 g/mol, XLogP of 1.91, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(2-acetamido-1,3-thiazol-4-yl)phenyl]ethylamino] carbamate is sourced from PubChem (CID 87993044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).