N-[2-[[5-(4-fluorophenyl)-1,3-thiazole-4-carbonyl]amino]ethyl]carbamate

C13H11FN3O3S- — CID 19768576

IUPACN-[2-[[5-(4-fluorophenyl)-1,3-thiazole-4-carbonyl]amino]ethyl]carbamate
SMILESO=C([O-])NCCNC(=O)c1ncsc1-c1ccc(F)cc1
InChIInChI=1S/C13H12FN3O3S/c14-9-3-1-8(2-4-9)11-10(17-7-21-11)12(18)15-5-6-16-13(19)20/h1-4,7,16H,5-6H2,(H,15,18)(H,19,20)/p-1
InChIKeyBKDKGERXNUCJFR-UHFFFAOYSA-M
MW308.31 g/mol
LogP0.61
Rot. Bonds5

About N-[2-[[5-(4-fluorophenyl)-1,3-thiazole-4-carbonyl]amino]ethyl]carbamate

N-[2-[[5-(4-fluorophenyl)-1,3-thiazole-4-carbonyl]amino]ethyl]carbamate (PubChem CID 19768576) has the molecular formula C13H11FN3O3S- and a molecular weight of 308.31 g/mol. Its IUPAC name is N-[2-[[5-(4-fluorophenyl)-1,3-thiazole-4-carbonyl]amino]ethyl]carbamate.

Molecular Properties

Compound NameN-[2-[[5-(4-fluorophenyl)-1,3-thiazole-4-carbonyl]amino]ethyl]carbamate
PubChem CID19768576
Molecular FormulaC13H11FN3O3S-
Molecular Weight308.31 g/mol
Exact Mass308.05
IUPAC NameN-[2-[[5-(4-fluorophenyl)-1,3-thiazole-4-carbonyl]amino]ethyl]carbamate
SMILESO=C([O-])NCCNC(=O)c1ncsc1-c1ccc(F)cc1
InChIInChI=1S/C13H12FN3O3S/c14-9-3-1-8(2-4-9)11-10(17-7-21-11)12(18)15-5-6-16-13(19)20/h1-4,7,16H,5-6H2,(H,15,18)(H,19,20)/p-1
InChIKeyBKDKGERXNUCJFR-UHFFFAOYSA-M
XLogP0.61
TPSA94.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.31
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[[5-(4-fluorophenyl)-1,3-thiazole-4-carbonyl]amino]ethylcarbamic acid
CID 19768577
N-[2-[[5-(4-fluorophenyl)-1,3-oxazole-4-carbonyl]amino]ethyl]carbamate
CID 19768465
2-[[5-(3-fluorophenyl)-1,3-thiazole-4-carbonyl]amino]ethylcarbamic acid
CID 19768518
N-[2-[[5-(2,4-dichlorophenyl)-1,3-thiazole-4-carbonyl]amino]ethyl]carbamate
CID 19768839
N-(2-aminoethyl)-5-(3,5-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 19768642
N',N'-diethyl-5-phenyl-1,3-thiazole-4-carbohydrazide
CID 174643362
2-amino-5-(4-fluorophenyl)-1,3-thiazole-4-carbohydrazide
CID 2783009
tert-butyl N-[2-[[5-(3-methoxyphenyl)-1,3-thiazole-4-carbonyl]amino]ethyl]carbamate
CID 54010314
N-(4-fluorophenyl)-5-methyl-1,3-thiazole-4-carboxamide
CID 110858632
tert-butyl-[2-[[5-(2-fluorophenyl)-1,3-thiazole-4-carbonyl]amino]ethyl]carbamic acid
CID 70365247
2-(4-fluorophenyl)-N-(3-hydroxypropyl)-1,3-thiazole-4-carboxamide
CID 78854756
3-(4-fluorophenyl)-N-propyl-1,2-thiazole-5-carboxamide
CID 53169211

Frequently Asked Questions

What is the IUPAC name of N-[2-[[5-(4-fluorophenyl)-1,3-thiazole-4-carbonyl]amino]ethyl]carbamate?
The IUPAC name of N-[2-[[5-(4-fluorophenyl)-1,3-thiazole-4-carbonyl]amino]ethyl]carbamate (CID 19768576) is N-[2-[[5-(4-fluorophenyl)-1,3-thiazole-4-carbonyl]amino]ethyl]carbamate.
What is the SMILES notation for N-[2-[[5-(4-fluorophenyl)-1,3-thiazole-4-carbonyl]amino]ethyl]carbamate?
The canonical SMILES for N-[2-[[5-(4-fluorophenyl)-1,3-thiazole-4-carbonyl]amino]ethyl]carbamate is O=C([O-])NCCNC(=O)c1ncsc1-c1ccc(F)cc1.
What is the InChIKey of N-[2-[[5-(4-fluorophenyl)-1,3-thiazole-4-carbonyl]amino]ethyl]carbamate?
The InChIKey is BKDKGERXNUCJFR-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H12FN3O3S/c14-9-3-1-8(2-4-9)11-10(17-7-21-11)12(18)15-5-6-16-13(19)20/h1-4,7,16H,5-6H2,(H,15,18)(H,19,20)/p-1.
What are the key properties of N-[2-[[5-(4-fluorophenyl)-1,3-thiazole-4-carbonyl]amino]ethyl]carbamate?
N-[2-[[5-(4-fluorophenyl)-1,3-thiazole-4-carbonyl]amino]ethyl]carbamate has a molecular weight of 308.31 g/mol, XLogP of 0.61, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[5-(4-fluorophenyl)-1,3-thiazole-4-carbonyl]amino]ethyl]carbamate is sourced from PubChem (CID 19768576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).