N-[2,2-dimethyl-3-[1-(4-methylphenyl)indazol-5-yl]-3-phenylpropyl]-5-methyl-1,3-thiazol-2-amine

C29H30N4S — CID 143670853

IUPACN-[2,2-dimethyl-3-[1-(4-methylphenyl)indazol-5-yl]-3-phenylpropyl]-5-methyl-1,3-thiazol-2-amine
SMILESCc1ccc(-n2ncc3cc(C(c4ccccc4)C(C)(C)CNc4ncc(C)s4)ccc32)cc1
InChIInChI=1S/C29H30N4S/c1-20-10-13-25(14-11-20)33-26-15-12-23(16-24(26)18-32-33)27(22-8-6-5-7-9-22)29(3,4)19-31-28-30-17-21(2)34-28/h5-18,27H,19H2,1-4H3,(H,30,31)
InChIKeyVOGCDEDHFWLFRG-UHFFFAOYSA-N
MW466.65 g/mol
LogP7.37
Rot. Bonds7

About N-[2,2-dimethyl-3-[1-(4-methylphenyl)indazol-5-yl]-3-phenylpropyl]-5-methyl-1,3-thiazol-2-amine

N-[2,2-dimethyl-3-[1-(4-methylphenyl)indazol-5-yl]-3-phenylpropyl]-5-methyl-1,3-thiazol-2-amine (PubChem CID 143670853) has the molecular formula C29H30N4S and a molecular weight of 466.65 g/mol. Its IUPAC name is N-[2,2-dimethyl-3-[1-(4-methylphenyl)indazol-5-yl]-3-phenylpropyl]-5-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[2,2-dimethyl-3-[1-(4-methylphenyl)indazol-5-yl]-3-phenylpropyl]-5-methyl-1,3-thiazol-2-amine
PubChem CID143670853
Molecular FormulaC29H30N4S
Molecular Weight466.65 g/mol
Exact Mass466.22
IUPAC NameN-[2,2-dimethyl-3-[1-(4-methylphenyl)indazol-5-yl]-3-phenylpropyl]-5-methyl-1,3-thiazol-2-amine
SMILESCc1ccc(-n2ncc3cc(C(c4ccccc4)C(C)(C)CNc4ncc(C)s4)ccc32)cc1
InChIInChI=1S/C29H30N4S/c1-20-10-13-25(14-11-20)33-26-15-12-23(16-24(26)18-32-33)27(22-8-6-5-7-9-22)29(3,4)19-31-28-30-17-21(2)34-28/h5-18,27H,19H2,1-4H3,(H,30,31)
InChIKeyVOGCDEDHFWLFRG-UHFFFAOYSA-N
XLogP7.37
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.65
LogP ≤ 57.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[3-(Quinolin-3-Yl)-2h-Indazol-5-Yl]-1,3-Thiazol-2-Amine
CID 87057584
(3S)-3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide
CID 72188916
(S)-N1-(5-(3-amino-1-methyl-1H-indazol-6-yl)thiazol-2-yl)-3-(4-(trifluoromethyl)phenyl)propane-1,2-diamine
CID 23654341
3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide
CID 24789142
3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)-3-phenylpropanamide
CID 24936727
3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-N-(5-methyl-1,3-thiazol-2-yl)-3-phenylpropanamide
CID 24936729
3-cyclohexyl-3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-N-(1,3-thiazol-2-yl)propanamide
CID 24936732
N-benzyl-4-(1H-indazol-5-yl)-5-phenylthiazol-2-amine
CID 25164678
4-(1H-indazol-5-yl)-N-phenylthiazol-2-amine
CID 25167075
N-ethyl-4-(1H-indazol-5-yl)thiazol-2-amine
CID 25167077
N-benzyl-4-(1H-indazol-5-yl)thiazol-2-amine
CID 25167078
4-(1H-indazol-5-yl)-N-phenethylthiazol-2-amine
CID 25167275

Frequently Asked Questions

What is the IUPAC name of N-[2,2-dimethyl-3-[1-(4-methylphenyl)indazol-5-yl]-3-phenylpropyl]-5-methyl-1,3-thiazol-2-amine?
The IUPAC name of N-[2,2-dimethyl-3-[1-(4-methylphenyl)indazol-5-yl]-3-phenylpropyl]-5-methyl-1,3-thiazol-2-amine (CID 143670853) is N-[2,2-dimethyl-3-[1-(4-methylphenyl)indazol-5-yl]-3-phenylpropyl]-5-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[2,2-dimethyl-3-[1-(4-methylphenyl)indazol-5-yl]-3-phenylpropyl]-5-methyl-1,3-thiazol-2-amine?
The canonical SMILES for N-[2,2-dimethyl-3-[1-(4-methylphenyl)indazol-5-yl]-3-phenylpropyl]-5-methyl-1,3-thiazol-2-amine is Cc1ccc(-n2ncc3cc(C(c4ccccc4)C(C)(C)CNc4ncc(C)s4)ccc32)cc1.
What is the InChIKey of N-[2,2-dimethyl-3-[1-(4-methylphenyl)indazol-5-yl]-3-phenylpropyl]-5-methyl-1,3-thiazol-2-amine?
The InChIKey is VOGCDEDHFWLFRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N4S/c1-20-10-13-25(14-11-20)33-26-15-12-23(16-24(26)18-32-33)27(22-8-6-5-7-9-22)29(3,4)19-31-28-30-17-21(2)34-28/h5-18,27H,19H2,1-4H3,(H,30,31).
What are the key properties of N-[2,2-dimethyl-3-[1-(4-methylphenyl)indazol-5-yl]-3-phenylpropyl]-5-methyl-1,3-thiazol-2-amine?
N-[2,2-dimethyl-3-[1-(4-methylphenyl)indazol-5-yl]-3-phenylpropyl]-5-methyl-1,3-thiazol-2-amine has a molecular weight of 466.65 g/mol, XLogP of 7.37, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,2-dimethyl-3-[1-(4-methylphenyl)indazol-5-yl]-3-phenylpropyl]-5-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 143670853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).