5-[4-(4-amino-2-chlorophenyl)-1,3-thiazol-2-yl]-N-cyclopropyl-2-fluorobenzamide

C19H15ClFN3OS — CID 145149558

IUPAC5-[4-(4-amino-2-chlorophenyl)-1,3-thiazol-2-yl]-N-cyclopropyl-2-fluorobenzamide
SMILESNc1ccc(-c2csc(-c3ccc(F)c(C(=O)NC4CC4)c3)n2)c(Cl)c1
InChIInChI=1S/C19H15ClFN3OS/c20-15-8-11(22)2-5-13(15)17-9-26-19(24-17)10-1-6-16(21)14(7-10)18(25)23-12-3-4-12/h1-2,5-9,12H,3-4,22H2,(H,23,25)
InChIKeyAQDICNMPQIGMQA-UHFFFAOYSA-N
MW387.87 g/mol
LogP4.74
Rot. Bonds4

About 5-[4-(4-amino-2-chlorophenyl)-1,3-thiazol-2-yl]-N-cyclopropyl-2-fluorobenzamide

5-[4-(4-amino-2-chlorophenyl)-1,3-thiazol-2-yl]-N-cyclopropyl-2-fluorobenzamide (PubChem CID 145149558) has the molecular formula C19H15ClFN3OS and a molecular weight of 387.87 g/mol. Its IUPAC name is 5-[4-(4-amino-2-chlorophenyl)-1,3-thiazol-2-yl]-N-cyclopropyl-2-fluorobenzamide.

Molecular Properties

Compound Name5-[4-(4-amino-2-chlorophenyl)-1,3-thiazol-2-yl]-N-cyclopropyl-2-fluorobenzamide
PubChem CID145149558
Molecular FormulaC19H15ClFN3OS
Molecular Weight387.87 g/mol
Exact Mass387.06
IUPAC Name5-[4-(4-amino-2-chlorophenyl)-1,3-thiazol-2-yl]-N-cyclopropyl-2-fluorobenzamide
SMILESNc1ccc(-c2csc(-c3ccc(F)c(C(=O)NC4CC4)c3)n2)c(Cl)c1
InChIInChI=1S/C19H15ClFN3OS/c20-15-8-11(22)2-5-13(15)17-9-26-19(24-17)10-1-6-16(21)14(7-10)18(25)23-12-3-4-12/h1-2,5-9,12H,3-4,22H2,(H,23,25)
InChIKeyAQDICNMPQIGMQA-UHFFFAOYSA-N
XLogP4.74
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.87
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-fluoro-N-(4-methylcyclohexyl)benzamide
CID 43510704
2-(4-chlorophenyl)-N-cyclopropyl-1,3-thiazole-4-carboxamide
CID 26736860
methyl 2-bromo-5-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]benzoate
CID 141449706
4-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]benzoic acid
CID 1483674
5-chloro-N-cycloheptyl-2-fluorobenzamide
CID 9082182
5-amino-N-(1-ethylpiperidin-4-yl)-2-fluorobenzamide
CID 61138909
5-amino-N-[3-(cyclopropylamino)-3-oxopropyl]-2-fluorobenzamide
CID 79386437
2,5-dichloro-N-[4-[(2,5-dichlorobenzoyl)amino]cyclohexyl]benzamide
CID 2165949
amino 3-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]benzoate
CID 143557037
N-[1-[2-(2-chlorophenyl)-1,3-thiazole-4-carbonyl]piperidin-4-yl]-2-fluorobenzamide
CID 86883401
3-[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]aniline
CID 43667919
5-chloro-2-fluoro-N-[1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-yl]benzamide
CID 71794533

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-amino-2-chlorophenyl)-1,3-thiazol-2-yl]-N-cyclopropyl-2-fluorobenzamide?
The IUPAC name of 5-[4-(4-amino-2-chlorophenyl)-1,3-thiazol-2-yl]-N-cyclopropyl-2-fluorobenzamide (CID 145149558) is 5-[4-(4-amino-2-chlorophenyl)-1,3-thiazol-2-yl]-N-cyclopropyl-2-fluorobenzamide.
What is the SMILES notation for 5-[4-(4-amino-2-chlorophenyl)-1,3-thiazol-2-yl]-N-cyclopropyl-2-fluorobenzamide?
The canonical SMILES for 5-[4-(4-amino-2-chlorophenyl)-1,3-thiazol-2-yl]-N-cyclopropyl-2-fluorobenzamide is Nc1ccc(-c2csc(-c3ccc(F)c(C(=O)NC4CC4)c3)n2)c(Cl)c1.
What is the InChIKey of 5-[4-(4-amino-2-chlorophenyl)-1,3-thiazol-2-yl]-N-cyclopropyl-2-fluorobenzamide?
The InChIKey is AQDICNMPQIGMQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClFN3OS/c20-15-8-11(22)2-5-13(15)17-9-26-19(24-17)10-1-6-16(21)14(7-10)18(25)23-12-3-4-12/h1-2,5-9,12H,3-4,22H2,(H,23,25).
What are the key properties of 5-[4-(4-amino-2-chlorophenyl)-1,3-thiazol-2-yl]-N-cyclopropyl-2-fluorobenzamide?
5-[4-(4-amino-2-chlorophenyl)-1,3-thiazol-2-yl]-N-cyclopropyl-2-fluorobenzamide has a molecular weight of 387.87 g/mol, XLogP of 4.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-amino-2-chlorophenyl)-1,3-thiazol-2-yl]-N-cyclopropyl-2-fluorobenzamide is sourced from PubChem (CID 145149558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).