5-[4-(4-chlorophenyl)-2-pyridin-3-yl-1,3-thiazol-5-yl]-N-ethyl-1H-pyrazole-3-carboxamide

C20H16ClN5OS — CID 46889217

IUPAC5-[4-(4-chlorophenyl)-2-pyridin-3-yl-1,3-thiazol-5-yl]-N-ethyl-1H-pyrazole-3-carboxamide
SMILESCCNC(=O)c1cc(-c2sc(-c3cccnc3)nc2-c2ccc(Cl)cc2)[nH]n1
InChIInChI=1S/C20H16ClN5OS/c1-2-23-19(27)16-10-15(25-26-16)18-17(12-5-7-14(21)8-6-12)24-20(28-18)13-4-3-9-22-11-13/h3-11H,2H2,1H3,(H,23,27)(H,25,26)
InChIKeyIDABFBUJFMQBID-UHFFFAOYSA-N
MW409.90 g/mol
LogP4.67
Rot. Bonds5

About 5-[4-(4-chlorophenyl)-2-pyridin-3-yl-1,3-thiazol-5-yl]-N-ethyl-1H-pyrazole-3-carboxamide

5-[4-(4-chlorophenyl)-2-pyridin-3-yl-1,3-thiazol-5-yl]-N-ethyl-1H-pyrazole-3-carboxamide (PubChem CID 46889217) has the molecular formula C20H16ClN5OS and a molecular weight of 409.90 g/mol. Its IUPAC name is 5-[4-(4-chlorophenyl)-2-pyridin-3-yl-1,3-thiazol-5-yl]-N-ethyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-[4-(4-chlorophenyl)-2-pyridin-3-yl-1,3-thiazol-5-yl]-N-ethyl-1H-pyrazole-3-carboxamide
PubChem CID46889217
Molecular FormulaC20H16ClN5OS
Molecular Weight409.90 g/mol
Exact Mass409.08
IUPAC Name5-[4-(4-chlorophenyl)-2-pyridin-3-yl-1,3-thiazol-5-yl]-N-ethyl-1H-pyrazole-3-carboxamide
SMILESCCNC(=O)c1cc(-c2sc(-c3cccnc3)nc2-c2ccc(Cl)cc2)[nH]n1
InChIInChI=1S/C20H16ClN5OS/c1-2-23-19(27)16-10-15(25-26-16)18-17(12-5-7-14(21)8-6-12)24-20(28-18)13-4-3-9-22-11-13/h3-11H,2H2,1H3,(H,23,27)(H,25,26)
InChIKeyIDABFBUJFMQBID-UHFFFAOYSA-N
XLogP4.67
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.90
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-chlorophenyl)-2-pyridin-3-yl-1,3-thiazol-5-yl]-N-ethyl-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-[4-(4-chlorophenyl)-2-pyridin-3-yl-1,3-thiazol-5-yl]-N-ethyl-1H-pyrazole-3-carboxamide (CID 46889217) is 5-[4-(4-chlorophenyl)-2-pyridin-3-yl-1,3-thiazol-5-yl]-N-ethyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-[4-(4-chlorophenyl)-2-pyridin-3-yl-1,3-thiazol-5-yl]-N-ethyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-[4-(4-chlorophenyl)-2-pyridin-3-yl-1,3-thiazol-5-yl]-N-ethyl-1H-pyrazole-3-carboxamide is CCNC(=O)c1cc(-c2sc(-c3cccnc3)nc2-c2ccc(Cl)cc2)[nH]n1.
What is the InChIKey of 5-[4-(4-chlorophenyl)-2-pyridin-3-yl-1,3-thiazol-5-yl]-N-ethyl-1H-pyrazole-3-carboxamide?
The InChIKey is IDABFBUJFMQBID-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN5OS/c1-2-23-19(27)16-10-15(25-26-16)18-17(12-5-7-14(21)8-6-12)24-20(28-18)13-4-3-9-22-11-13/h3-11H,2H2,1H3,(H,23,27)(H,25,26).
What are the key properties of 5-[4-(4-chlorophenyl)-2-pyridin-3-yl-1,3-thiazol-5-yl]-N-ethyl-1H-pyrazole-3-carboxamide?
5-[4-(4-chlorophenyl)-2-pyridin-3-yl-1,3-thiazol-5-yl]-N-ethyl-1H-pyrazole-3-carboxamide has a molecular weight of 409.90 g/mol, XLogP of 4.67, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-chlorophenyl)-2-pyridin-3-yl-1,3-thiazol-5-yl]-N-ethyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 46889217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).