N-(1-ethylindazol-6-yl)-2-[4-methyl-2-(1-methylpyrazol-3-yl)-1,3-thiazol-5-yl]acetamide

C19H20N6OS — CID 166252223

IUPACN-(1-ethylindazol-6-yl)-2-[4-methyl-2-(1-methylpyrazol-3-yl)-1,3-thiazol-5-yl]acetamide
SMILESCCn1ncc2ccc(NC(=O)Cc3sc(-c4ccn(C)n4)nc3C)cc21
InChIInChI=1S/C19H20N6OS/c1-4-25-16-9-14(6-5-13(16)11-20-25)22-18(26)10-17-12(2)21-19(27-17)15-7-8-24(3)23-15/h5-9,11H,4,10H2,1-3H3,(H,22,26)
InChIKeyUMTONTQQBOWMJH-UHFFFAOYSA-N
MW380.48 g/mol
LogP3.40
Rot. Bonds5

About N-(1-ethylindazol-6-yl)-2-[4-methyl-2-(1-methylpyrazol-3-yl)-1,3-thiazol-5-yl]acetamide

N-(1-ethylindazol-6-yl)-2-[4-methyl-2-(1-methylpyrazol-3-yl)-1,3-thiazol-5-yl]acetamide (PubChem CID 166252223) has the molecular formula C19H20N6OS and a molecular weight of 380.48 g/mol. Its IUPAC name is N-(1-ethylindazol-6-yl)-2-[4-methyl-2-(1-methylpyrazol-3-yl)-1,3-thiazol-5-yl]acetamide.

Molecular Properties

Compound NameN-(1-ethylindazol-6-yl)-2-[4-methyl-2-(1-methylpyrazol-3-yl)-1,3-thiazol-5-yl]acetamide
PubChem CID166252223
Molecular FormulaC19H20N6OS
Molecular Weight380.48 g/mol
Exact Mass380.14
IUPAC NameN-(1-ethylindazol-6-yl)-2-[4-methyl-2-(1-methylpyrazol-3-yl)-1,3-thiazol-5-yl]acetamide
SMILESCCn1ncc2ccc(NC(=O)Cc3sc(-c4ccn(C)n4)nc3C)cc21
InChIInChI=1S/C19H20N6OS/c1-4-25-16-9-14(6-5-13(16)11-20-25)22-18(26)10-17-12(2)21-19(27-17)15-7-8-24(3)23-15/h5-9,11H,4,10H2,1-3H3,(H,22,26)
InChIKeyUMTONTQQBOWMJH-UHFFFAOYSA-N
XLogP3.40
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.48
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethylindazol-6-yl)-2-[4-methyl-2-(1-methylpyrazol-3-yl)-1,3-thiazol-5-yl]acetamide?
The IUPAC name of N-(1-ethylindazol-6-yl)-2-[4-methyl-2-(1-methylpyrazol-3-yl)-1,3-thiazol-5-yl]acetamide (CID 166252223) is N-(1-ethylindazol-6-yl)-2-[4-methyl-2-(1-methylpyrazol-3-yl)-1,3-thiazol-5-yl]acetamide.
What is the SMILES notation for N-(1-ethylindazol-6-yl)-2-[4-methyl-2-(1-methylpyrazol-3-yl)-1,3-thiazol-5-yl]acetamide?
The canonical SMILES for N-(1-ethylindazol-6-yl)-2-[4-methyl-2-(1-methylpyrazol-3-yl)-1,3-thiazol-5-yl]acetamide is CCn1ncc2ccc(NC(=O)Cc3sc(-c4ccn(C)n4)nc3C)cc21.
What is the InChIKey of N-(1-ethylindazol-6-yl)-2-[4-methyl-2-(1-methylpyrazol-3-yl)-1,3-thiazol-5-yl]acetamide?
The InChIKey is UMTONTQQBOWMJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6OS/c1-4-25-16-9-14(6-5-13(16)11-20-25)22-18(26)10-17-12(2)21-19(27-17)15-7-8-24(3)23-15/h5-9,11H,4,10H2,1-3H3,(H,22,26).
What are the key properties of N-(1-ethylindazol-6-yl)-2-[4-methyl-2-(1-methylpyrazol-3-yl)-1,3-thiazol-5-yl]acetamide?
N-(1-ethylindazol-6-yl)-2-[4-methyl-2-(1-methylpyrazol-3-yl)-1,3-thiazol-5-yl]acetamide has a molecular weight of 380.48 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylindazol-6-yl)-2-[4-methyl-2-(1-methylpyrazol-3-yl)-1,3-thiazol-5-yl]acetamide is sourced from PubChem (CID 166252223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).