N-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]-1-ethylpyrazole-3-carboxamide

C15H12Cl2N4OS — CID 17144089

IUPACN-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]-1-ethylpyrazole-3-carboxamide
SMILESCCn1ccc(C(=O)Nc2nc(-c3cc(Cl)ccc3Cl)cs2)n1
InChIInChI=1S/C15H12Cl2N4OS/c1-2-21-6-5-12(20-21)14(22)19-15-18-13(8-23-15)10-7-9(16)3-4-11(10)17/h3-8H,2H2,1H3,(H,18,19,22)
InChIKeyGHSUMUNLWAMHKG-UHFFFAOYSA-N
MW367.26 g/mol
LogP4.59
Rot. Bonds4

About N-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]-1-ethylpyrazole-3-carboxamide

N-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]-1-ethylpyrazole-3-carboxamide (PubChem CID 17144089) has the molecular formula C15H12Cl2N4OS and a molecular weight of 367.26 g/mol. Its IUPAC name is N-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]-1-ethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]-1-ethylpyrazole-3-carboxamide
PubChem CID17144089
Molecular FormulaC15H12Cl2N4OS
Molecular Weight367.26 g/mol
Exact Mass366.01
IUPAC NameN-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]-1-ethylpyrazole-3-carboxamide
SMILESCCn1ccc(C(=O)Nc2nc(-c3cc(Cl)ccc3Cl)cs2)n1
InChIInChI=1S/C15H12Cl2N4OS/c1-2-21-6-5-12(20-21)14(22)19-15-18-13(8-23-15)10-7-9(16)3-4-11(10)17/h3-8H,2H2,1H3,(H,18,19,22)
InChIKeyGHSUMUNLWAMHKG-UHFFFAOYSA-N
XLogP4.59
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.26
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]-1-ethylpyrazole-3-carboxamide?
The IUPAC name of N-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]-1-ethylpyrazole-3-carboxamide (CID 17144089) is N-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]-1-ethylpyrazole-3-carboxamide.
What is the SMILES notation for N-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]-1-ethylpyrazole-3-carboxamide?
The canonical SMILES for N-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]-1-ethylpyrazole-3-carboxamide is CCn1ccc(C(=O)Nc2nc(-c3cc(Cl)ccc3Cl)cs2)n1.
What is the InChIKey of N-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]-1-ethylpyrazole-3-carboxamide?
The InChIKey is GHSUMUNLWAMHKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N4OS/c1-2-21-6-5-12(20-21)14(22)19-15-18-13(8-23-15)10-7-9(16)3-4-11(10)17/h3-8H,2H2,1H3,(H,18,19,22).
What are the key properties of N-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]-1-ethylpyrazole-3-carboxamide?
N-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]-1-ethylpyrazole-3-carboxamide has a molecular weight of 367.26 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]-1-ethylpyrazole-3-carboxamide is sourced from PubChem (CID 17144089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).