N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]-5-ethyl-2,4-dimethylpyrazole-3-carboxamide

C19H24N4OS2 — CID 46966625

IUPACN-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]-5-ethyl-2,4-dimethylpyrazole-3-carboxamide
SMILESCCc1nn(C)c(C(=O)NC(Cc2ccsc2)c2nc(C)c(C)s2)c1C
InChIInChI=1S/C19H24N4OS2/c1-6-15-11(2)17(23(5)22-15)18(24)21-16(9-14-7-8-25-10-14)19-20-12(3)13(4)26-19/h7-8,10,16H,6,9H2,1-5H3,(H,21,24)
InChIKeyPZECVRYEFSCJRO-UHFFFAOYSA-N
MW388.56 g/mol
LogP4.14
Rot. Bonds6

About N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]-5-ethyl-2,4-dimethylpyrazole-3-carboxamide

N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]-5-ethyl-2,4-dimethylpyrazole-3-carboxamide (PubChem CID 46966625) has the molecular formula C19H24N4OS2 and a molecular weight of 388.56 g/mol. Its IUPAC name is N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]-5-ethyl-2,4-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]-5-ethyl-2,4-dimethylpyrazole-3-carboxamide
PubChem CID46966625
Molecular FormulaC19H24N4OS2
Molecular Weight388.56 g/mol
Exact Mass388.14
IUPAC NameN-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]-5-ethyl-2,4-dimethylpyrazole-3-carboxamide
SMILESCCc1nn(C)c(C(=O)NC(Cc2ccsc2)c2nc(C)c(C)s2)c1C
InChIInChI=1S/C19H24N4OS2/c1-6-15-11(2)17(23(5)22-15)18(24)21-16(9-14-7-8-25-10-14)19-20-12(3)13(4)26-19/h7-8,10,16H,6,9H2,1-5H3,(H,21,24)
InChIKeyPZECVRYEFSCJRO-UHFFFAOYSA-N
XLogP4.14
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.56
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]-5-ethyl-2,4-dimethylpyrazole-3-carboxamide?
The IUPAC name of N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]-5-ethyl-2,4-dimethylpyrazole-3-carboxamide (CID 46966625) is N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]-5-ethyl-2,4-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]-5-ethyl-2,4-dimethylpyrazole-3-carboxamide?
The canonical SMILES for N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]-5-ethyl-2,4-dimethylpyrazole-3-carboxamide is CCc1nn(C)c(C(=O)NC(Cc2ccsc2)c2nc(C)c(C)s2)c1C.
What is the InChIKey of N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]-5-ethyl-2,4-dimethylpyrazole-3-carboxamide?
The InChIKey is PZECVRYEFSCJRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4OS2/c1-6-15-11(2)17(23(5)22-15)18(24)21-16(9-14-7-8-25-10-14)19-20-12(3)13(4)26-19/h7-8,10,16H,6,9H2,1-5H3,(H,21,24).
What are the key properties of N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]-5-ethyl-2,4-dimethylpyrazole-3-carboxamide?
N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]-5-ethyl-2,4-dimethylpyrazole-3-carboxamide has a molecular weight of 388.56 g/mol, XLogP of 4.14, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]-5-ethyl-2,4-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 46966625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).