2-amino-N-[4-methyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]-1,3-thiazol-2-yl]-4-methylsulfanylbutanamide

C23H24N6OS2 — CID 156760473

IUPAC2-amino-N-[4-methyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]-1,3-thiazol-2-yl]-4-methylsulfanylbutanamide
SMILESCSCCC(N)C(=O)Nc1nc(C)c(-c2ccc3c(/C=C/c4ccccn4)n[nH]c3c2)s1
InChIInChI=1S/C23H24N6OS2/c1-14-21(32-23(26-14)27-22(30)18(24)10-12-31-2)15-6-8-17-19(28-29-20(17)13-15)9-7-16-5-3-4-11-25-16/h3-9,11,13,18H,10,12,24H2,1-2H3,(H,28,29)(H,26,27,30)/b9-7+
InChIKeySOFGIYQAPYGIKD-VQHVLOKHSA-N
MW464.62 g/mol
LogP4.58
Rot. Bonds8

About 2-amino-N-[4-methyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]-1,3-thiazol-2-yl]-4-methylsulfanylbutanamide

2-amino-N-[4-methyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]-1,3-thiazol-2-yl]-4-methylsulfanylbutanamide (PubChem CID 156760473) has the molecular formula C23H24N6OS2 and a molecular weight of 464.62 g/mol. Its IUPAC name is 2-amino-N-[4-methyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]-1,3-thiazol-2-yl]-4-methylsulfanylbutanamide.

Molecular Properties

Compound Name2-amino-N-[4-methyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]-1,3-thiazol-2-yl]-4-methylsulfanylbutanamide
PubChem CID156760473
Molecular FormulaC23H24N6OS2
Molecular Weight464.62 g/mol
Exact Mass464.15
IUPAC Name2-amino-N-[4-methyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]-1,3-thiazol-2-yl]-4-methylsulfanylbutanamide
SMILESCSCCC(N)C(=O)Nc1nc(C)c(-c2ccc3c(/C=C/c4ccccn4)n[nH]c3c2)s1
InChIInChI=1S/C23H24N6OS2/c1-14-21(32-23(26-14)27-22(30)18(24)10-12-31-2)15-6-8-17-19(28-29-20(17)13-15)9-7-16-5-3-4-11-25-16/h3-9,11,13,18H,10,12,24H2,1-2H3,(H,28,29)(H,26,27,30)/b9-7+
InChIKeySOFGIYQAPYGIKD-VQHVLOKHSA-N
XLogP4.58
TPSA109.58 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.62
LogP ≤ 54.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-methyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]-1,3-thiazol-2-yl]-4-methylsulfanylbutanamide?
The IUPAC name of 2-amino-N-[4-methyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]-1,3-thiazol-2-yl]-4-methylsulfanylbutanamide (CID 156760473) is 2-amino-N-[4-methyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]-1,3-thiazol-2-yl]-4-methylsulfanylbutanamide.
What is the SMILES notation for 2-amino-N-[4-methyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]-1,3-thiazol-2-yl]-4-methylsulfanylbutanamide?
The canonical SMILES for 2-amino-N-[4-methyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]-1,3-thiazol-2-yl]-4-methylsulfanylbutanamide is CSCCC(N)C(=O)Nc1nc(C)c(-c2ccc3c(/C=C/c4ccccn4)n[nH]c3c2)s1.
What is the InChIKey of 2-amino-N-[4-methyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]-1,3-thiazol-2-yl]-4-methylsulfanylbutanamide?
The InChIKey is SOFGIYQAPYGIKD-VQHVLOKHSA-N. The full InChI is InChI=1S/C23H24N6OS2/c1-14-21(32-23(26-14)27-22(30)18(24)10-12-31-2)15-6-8-17-19(28-29-20(17)13-15)9-7-16-5-3-4-11-25-16/h3-9,11,13,18H,10,12,24H2,1-2H3,(H,28,29)(H,26,27,30)/b9-7+.
What are the key properties of 2-amino-N-[4-methyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]-1,3-thiazol-2-yl]-4-methylsulfanylbutanamide?
2-amino-N-[4-methyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]-1,3-thiazol-2-yl]-4-methylsulfanylbutanamide has a molecular weight of 464.62 g/mol, XLogP of 4.58, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-methyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]-1,3-thiazol-2-yl]-4-methylsulfanylbutanamide is sourced from PubChem (CID 156760473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).