4-amino-3-(3-fluorophenyl)-N-pentyl-1,2-thiazole-5-carboxamide

C15H18FN3OS — CID 52906064

IUPAC4-amino-3-(3-fluorophenyl)-N-pentyl-1,2-thiazole-5-carboxamide
SMILESCCCCCNC(=O)c1snc(-c2cccc(F)c2)c1N
InChIInChI=1S/C15H18FN3OS/c1-2-3-4-8-18-15(20)14-12(17)13(19-21-14)10-6-5-7-11(16)9-10/h5-7,9H,2-4,8,17H2,1H3,(H,18,20)
InChIKeyLNRGERLUCQPCLM-UHFFFAOYSA-N
MW307.39 g/mol
LogP3.45
Rot. Bonds6

About 4-amino-3-(3-fluorophenyl)-N-pentyl-1,2-thiazole-5-carboxamide

4-amino-3-(3-fluorophenyl)-N-pentyl-1,2-thiazole-5-carboxamide (PubChem CID 52906064) has the molecular formula C15H18FN3OS and a molecular weight of 307.39 g/mol. Its IUPAC name is 4-amino-3-(3-fluorophenyl)-N-pentyl-1,2-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-3-(3-fluorophenyl)-N-pentyl-1,2-thiazole-5-carboxamide
PubChem CID52906064
Molecular FormulaC15H18FN3OS
Molecular Weight307.39 g/mol
Exact Mass307.12
IUPAC Name4-amino-3-(3-fluorophenyl)-N-pentyl-1,2-thiazole-5-carboxamide
SMILESCCCCCNC(=O)c1snc(-c2cccc(F)c2)c1N
InChIInChI=1S/C15H18FN3OS/c1-2-3-4-8-18-15(20)14-12(17)13(19-21-14)10-6-5-7-11(16)9-10/h5-7,9H,2-4,8,17H2,1H3,(H,18,20)
InChIKeyLNRGERLUCQPCLM-UHFFFAOYSA-N
XLogP3.45
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-amino-3-(3-fluorophenyl)-N-pentyl-1,2-thiazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-N-butyl-3-(4-methoxyphenyl)-1,2-thiazole-5-carboxamide
CID 52906123
4-amino-N-[(2-fluorophenyl)methyl]-3-(3-methoxyphenyl)-1,2-thiazole-5-carboxamide
CID 53335741
4-amino-3-(4-methoxyphenyl)-N-propyl-1,2-thiazole-5-carboxamide
CID 52906119
3-fluoro-N-octadecylbenzamide
CID 91711883
4-amino-3-(4-fluorophenyl)-N-(2-methylpropyl)-1,2-thiazole-5-carboxamide
CID 53335719
4-amino-3-phenyl-N-(2-thiophen-2-ylethyl)-1,2-thiazole-5-carboxamide
CID 53335695
5-amino-N-butyl-4-(3-hydroxyphenyl)-2-methylsulfanylthieno[2,3-d]pyrimidine-6-carboxamide
CID 139934869
3-amino-N-hexadecylbenzamide;hydrochloride
CID 45049404
2,3-difluoro-N-pentylbenzamide
CID 62649821
2-(3-fluorophenoxy)-N-pentylacetamide
CID 110756252
4-fluoro-3-methyl-N-pentyl-1-benzothiophene-2-carboxamide
CID 33141822
5-(3-methoxyphenyl)-N-pentyl-1,2-oxazole-3-carboxamide
CID 110317131

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(3-fluorophenyl)-N-pentyl-1,2-thiazole-5-carboxamide?
The IUPAC name of 4-amino-3-(3-fluorophenyl)-N-pentyl-1,2-thiazole-5-carboxamide (CID 52906064) is 4-amino-3-(3-fluorophenyl)-N-pentyl-1,2-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-3-(3-fluorophenyl)-N-pentyl-1,2-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-3-(3-fluorophenyl)-N-pentyl-1,2-thiazole-5-carboxamide is CCCCCNC(=O)c1snc(-c2cccc(F)c2)c1N.
What is the InChIKey of 4-amino-3-(3-fluorophenyl)-N-pentyl-1,2-thiazole-5-carboxamide?
The InChIKey is LNRGERLUCQPCLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3OS/c1-2-3-4-8-18-15(20)14-12(17)13(19-21-14)10-6-5-7-11(16)9-10/h5-7,9H,2-4,8,17H2,1H3,(H,18,20).
What are the key properties of 4-amino-3-(3-fluorophenyl)-N-pentyl-1,2-thiazole-5-carboxamide?
4-amino-3-(3-fluorophenyl)-N-pentyl-1,2-thiazole-5-carboxamide has a molecular weight of 307.39 g/mol, XLogP of 3.45, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(3-fluorophenyl)-N-pentyl-1,2-thiazole-5-carboxamide is sourced from PubChem (CID 52906064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).