N-(1H-indazol-5-yl)-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-amine

C24H26N4S — CID 143370408

IUPACN-(1H-indazol-5-yl)-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-amine
SMILESCC1(C)CCC(C)(C)c2cc(-c3csc(Nc4ccc5[nH]ncc5c4)n3)ccc21
InChIInChI=1S/C24H26N4S/c1-23(2)9-10-24(3,4)19-12-15(5-7-18(19)23)21-14-29-22(27-21)26-17-6-8-20-16(11-17)13-25-28-20/h5-8,11-14H,9-10H2,1-4H3,(H,25,28)(H,26,27)
InChIKeyRDIDXWYBOCHESG-UHFFFAOYSA-N
MW402.57 g/mol
LogP6.78
Rot. Bonds3

About N-(1H-indazol-5-yl)-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-amine

N-(1H-indazol-5-yl)-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-amine (PubChem CID 143370408) has the molecular formula C24H26N4S and a molecular weight of 402.57 g/mol. Its IUPAC name is N-(1H-indazol-5-yl)-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(1H-indazol-5-yl)-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-amine
PubChem CID143370408
Molecular FormulaC24H26N4S
Molecular Weight402.57 g/mol
Exact Mass402.19
IUPAC NameN-(1H-indazol-5-yl)-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-amine
SMILESCC1(C)CCC(C)(C)c2cc(-c3csc(Nc4ccc5[nH]ncc5c4)n3)ccc21
InChIInChI=1S/C24H26N4S/c1-23(2)9-10-24(3,4)19-12-15(5-7-18(19)23)21-14-29-22(27-21)26-17-6-8-20-16(11-17)13-25-28-20/h5-8,11-14H,9-10H2,1-4H3,(H,25,28)(H,26,27)
InChIKeyRDIDXWYBOCHESG-UHFFFAOYSA-N
XLogP6.78
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.57
LogP ≤ 56.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1H-indazol-5-yl)-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-amine?
The IUPAC name of N-(1H-indazol-5-yl)-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-amine (CID 143370408) is N-(1H-indazol-5-yl)-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-(1H-indazol-5-yl)-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-amine?
The canonical SMILES for N-(1H-indazol-5-yl)-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-amine is CC1(C)CCC(C)(C)c2cc(-c3csc(Nc4ccc5[nH]ncc5c4)n3)ccc21.
What is the InChIKey of N-(1H-indazol-5-yl)-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-amine?
The InChIKey is RDIDXWYBOCHESG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4S/c1-23(2)9-10-24(3,4)19-12-15(5-7-18(19)23)21-14-29-22(27-21)26-17-6-8-20-16(11-17)13-25-28-20/h5-8,11-14H,9-10H2,1-4H3,(H,25,28)(H,26,27).
What are the key properties of N-(1H-indazol-5-yl)-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-amine?
N-(1H-indazol-5-yl)-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-amine has a molecular weight of 402.57 g/mol, XLogP of 6.78, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indazol-5-yl)-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 143370408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).