N-[5-(3-fluorophenyl)pyrazolidin-3-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide

C19H18FN5OS — CID 133239210

IUPACN-[5-(3-fluorophenyl)pyrazolidin-3-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2cccnc2)sc1C(=O)NC1CC(c2cccc(F)c2)NN1
InChIInChI=1S/C19H18FN5OS/c1-11-17(27-19(22-11)13-5-3-7-21-10-13)18(26)23-16-9-15(24-25-16)12-4-2-6-14(20)8-12/h2-8,10,15-16,24-25H,9H2,1H3,(H,23,26)
InChIKeyBIHZISWZAKTEIT-UHFFFAOYSA-N
MW383.45 g/mol
LogP2.95
Rot. Bonds4

About N-[5-(3-fluorophenyl)pyrazolidin-3-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide

N-[5-(3-fluorophenyl)pyrazolidin-3-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide (PubChem CID 133239210) has the molecular formula C19H18FN5OS and a molecular weight of 383.45 g/mol. Its IUPAC name is N-[5-(3-fluorophenyl)pyrazolidin-3-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[5-(3-fluorophenyl)pyrazolidin-3-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide
PubChem CID133239210
Molecular FormulaC19H18FN5OS
Molecular Weight383.45 g/mol
Exact Mass383.12
IUPAC NameN-[5-(3-fluorophenyl)pyrazolidin-3-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2cccnc2)sc1C(=O)NC1CC(c2cccc(F)c2)NN1
InChIInChI=1S/C19H18FN5OS/c1-11-17(27-19(22-11)13-5-3-7-21-10-13)18(26)23-16-9-15(24-25-16)12-4-2-6-14(20)8-12/h2-8,10,15-16,24-25H,9H2,1H3,(H,23,26)
InChIKeyBIHZISWZAKTEIT-UHFFFAOYSA-N
XLogP2.95
TPSA78.94 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 52.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-(3-fluorophenyl)pyrazolidin-3-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[5-(3-fluorophenyl)pyrazolidin-3-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide (CID 133239210) is N-[5-(3-fluorophenyl)pyrazolidin-3-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[5-(3-fluorophenyl)pyrazolidin-3-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[5-(3-fluorophenyl)pyrazolidin-3-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide is Cc1nc(-c2cccnc2)sc1C(=O)NC1CC(c2cccc(F)c2)NN1.
What is the InChIKey of N-[5-(3-fluorophenyl)pyrazolidin-3-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide?
The InChIKey is BIHZISWZAKTEIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN5OS/c1-11-17(27-19(22-11)13-5-3-7-21-10-13)18(26)23-16-9-15(24-25-16)12-4-2-6-14(20)8-12/h2-8,10,15-16,24-25H,9H2,1H3,(H,23,26).
What are the key properties of N-[5-(3-fluorophenyl)pyrazolidin-3-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide?
N-[5-(3-fluorophenyl)pyrazolidin-3-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide has a molecular weight of 383.45 g/mol, XLogP of 2.95, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-fluorophenyl)pyrazolidin-3-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 133239210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).