N-[4-(4-cyclopropylpiperazin-1-yl)phenyl]-2-(2-fluorophenyl)-1,3-thiazole-5-carboxamide

C23H23FN4OS — CID 167781477

IUPACN-[4-(4-cyclopropylpiperazin-1-yl)phenyl]-2-(2-fluorophenyl)-1,3-thiazole-5-carboxamide
SMILESO=C(Nc1ccc(N2CCN(C3CC3)CC2)cc1)c1cnc(-c2ccccc2F)s1
InChIInChI=1S/C23H23FN4OS/c24-20-4-2-1-3-19(20)23-25-15-21(30-23)22(29)26-16-5-7-17(8-6-16)27-11-13-28(14-12-27)18-9-10-18/h1-8,15,18H,9-14H2,(H,26,29)
InChIKeyTVAUFBGQZWBHOG-UHFFFAOYSA-N
MW422.53 g/mol
LogP4.49
Rot. Bonds5

About N-[4-(4-cyclopropylpiperazin-1-yl)phenyl]-2-(2-fluorophenyl)-1,3-thiazole-5-carboxamide

N-[4-(4-cyclopropylpiperazin-1-yl)phenyl]-2-(2-fluorophenyl)-1,3-thiazole-5-carboxamide (PubChem CID 167781477) has the molecular formula C23H23FN4OS and a molecular weight of 422.53 g/mol. Its IUPAC name is N-[4-(4-cyclopropylpiperazin-1-yl)phenyl]-2-(2-fluorophenyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-(4-cyclopropylpiperazin-1-yl)phenyl]-2-(2-fluorophenyl)-1,3-thiazole-5-carboxamide
PubChem CID167781477
Molecular FormulaC23H23FN4OS
Molecular Weight422.53 g/mol
Exact Mass422.16
IUPAC NameN-[4-(4-cyclopropylpiperazin-1-yl)phenyl]-2-(2-fluorophenyl)-1,3-thiazole-5-carboxamide
SMILESO=C(Nc1ccc(N2CCN(C3CC3)CC2)cc1)c1cnc(-c2ccccc2F)s1
InChIInChI=1S/C23H23FN4OS/c24-20-4-2-1-3-19(20)23-25-15-21(30-23)22(29)26-16-5-7-17(8-6-16)27-11-13-28(14-12-27)18-9-10-18/h1-8,15,18H,9-14H2,(H,26,29)
InChIKeyTVAUFBGQZWBHOG-UHFFFAOYSA-N
XLogP4.49
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

1-[4-(4-cyclopropylpiperazin-1-yl)phenyl]-3-phenylurea
CID 110288066
2-(2-fluorophenyl)-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide;hydrochloride
CID 120998344
N-[4-(4-cyclopentylpiperazin-1-yl)phenyl]pyridine-4-carboxamide
CID 112502757
2-(2-chlorophenyl)-N-[4-(1,2,4-triazol-1-yl)phenyl]-1,3-thiazole-5-carboxamide
CID 49322472
N-[4-(4-cyclopropylpiperazin-1-yl)phenyl]-2-(4-fluorophenyl)acetamide
CID 110288057
N-(4-chlorophenyl)-5-(4-phenylpiperazin-1-yl)pyridine-2-carboxamide
CID 109193461
N-(4-carbamoyl-2-fluorophenyl)-2-(2-fluorophenyl)-1,3-thiazole-5-carboxamide
CID 100631360
2-(2-fluorophenyl)-N-[2-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-1,3-thiazole-5-carboxamide
CID 122514095
N-[4-(4-cyclopropylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 167774361
5-(2,6-difluoroanilino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide
CID 109200601
2-(methylamino)-N-(4-morpholin-4-ylphenyl)-1,3-thiazole-5-carboxamide
CID 75435971
N-[4-(4-cyclopropylpiperazin-1-yl)phenyl]-4-phenoxybutanamide
CID 110288064

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-cyclopropylpiperazin-1-yl)phenyl]-2-(2-fluorophenyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[4-(4-cyclopropylpiperazin-1-yl)phenyl]-2-(2-fluorophenyl)-1,3-thiazole-5-carboxamide (CID 167781477) is N-[4-(4-cyclopropylpiperazin-1-yl)phenyl]-2-(2-fluorophenyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[4-(4-cyclopropylpiperazin-1-yl)phenyl]-2-(2-fluorophenyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[4-(4-cyclopropylpiperazin-1-yl)phenyl]-2-(2-fluorophenyl)-1,3-thiazole-5-carboxamide is O=C(Nc1ccc(N2CCN(C3CC3)CC2)cc1)c1cnc(-c2ccccc2F)s1.
What is the InChIKey of N-[4-(4-cyclopropylpiperazin-1-yl)phenyl]-2-(2-fluorophenyl)-1,3-thiazole-5-carboxamide?
The InChIKey is TVAUFBGQZWBHOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4OS/c24-20-4-2-1-3-19(20)23-25-15-21(30-23)22(29)26-16-5-7-17(8-6-16)27-11-13-28(14-12-27)18-9-10-18/h1-8,15,18H,9-14H2,(H,26,29).
What are the key properties of N-[4-(4-cyclopropylpiperazin-1-yl)phenyl]-2-(2-fluorophenyl)-1,3-thiazole-5-carboxamide?
N-[4-(4-cyclopropylpiperazin-1-yl)phenyl]-2-(2-fluorophenyl)-1,3-thiazole-5-carboxamide has a molecular weight of 422.53 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-cyclopropylpiperazin-1-yl)phenyl]-2-(2-fluorophenyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 167781477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).