N-[(4R)-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide

C22H23N5OS — CID 42096894

IUPACN-[(4R)-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide
SMILESCc1nc2sccn2c1C(=O)N[C@@H]1CC(C)(C)Cc2c1cnn2-c1ccccc1
InChIInChI=1S/C22H23N5OS/c1-14-19(26-9-10-29-21(26)24-14)20(28)25-17-11-22(2,3)12-18-16(17)13-23-27(18)15-7-5-4-6-8-15/h4-10,13,17H,11-12H2,1-3H3,(H,25,28)/t17-/m1/s1
InChIKeyXUCJNUIKXUZBDD-QGZVFWFLSA-N
MW405.53 g/mol
LogP4.33
Rot. Bonds3

About N-[(4R)-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide

N-[(4R)-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide (PubChem CID 42096894) has the molecular formula C22H23N5OS and a molecular weight of 405.53 g/mol. Its IUPAC name is N-[(4R)-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(4R)-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide
PubChem CID42096894
Molecular FormulaC22H23N5OS
Molecular Weight405.53 g/mol
Exact Mass405.16
IUPAC NameN-[(4R)-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide
SMILESCc1nc2sccn2c1C(=O)N[C@@H]1CC(C)(C)Cc2c1cnn2-c1ccccc1
InChIInChI=1S/C22H23N5OS/c1-14-19(26-9-10-29-21(26)24-14)20(28)25-17-11-22(2,3)12-18-16(17)13-23-27(18)15-7-5-4-6-8-15/h4-10,13,17H,11-12H2,1-3H3,(H,25,28)/t17-/m1/s1
InChIKeyXUCJNUIKXUZBDD-QGZVFWFLSA-N
XLogP4.33
TPSA64.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.53
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(4R)-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide?
The IUPAC name of N-[(4R)-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide (CID 42096894) is N-[(4R)-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide.
What is the SMILES notation for N-[(4R)-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide?
The canonical SMILES for N-[(4R)-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide is Cc1nc2sccn2c1C(=O)N[C@@H]1CC(C)(C)Cc2c1cnn2-c1ccccc1.
What is the InChIKey of N-[(4R)-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide?
The InChIKey is XUCJNUIKXUZBDD-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H23N5OS/c1-14-19(26-9-10-29-21(26)24-14)20(28)25-17-11-22(2,3)12-18-16(17)13-23-27(18)15-7-5-4-6-8-15/h4-10,13,17H,11-12H2,1-3H3,(H,25,28)/t17-/m1/s1.
What are the key properties of N-[(4R)-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide?
N-[(4R)-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide has a molecular weight of 405.53 g/mol, XLogP of 4.33, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4R)-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide is sourced from PubChem (CID 42096894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).