4-(4-tert-butylphenyl)-N-[2-ethyl-6-(1-methylsulfonylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]-N-methyl-1,3-thiazol-2-amine

C29H37N5O2S2 — CID 78426290

IUPAC4-(4-tert-butylphenyl)-N-[2-ethyl-6-(1-methylsulfonylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]-N-methyl-1,3-thiazol-2-amine
SMILESCCc1nc2ccc(C3CCN(S(C)(=O)=O)CC3)cn2c1N(C)c1nc(-c2ccc(C(C)(C)C)cc2)cs1
InChIInChI=1S/C29H37N5O2S2/c1-7-24-27(32(5)28-31-25(19-37-28)21-8-11-23(12-9-21)29(2,3)4)34-18-22(10-13-26(34)30-24)20-14-16-33(17-15-20)38(6,35)36/h8-13,18-20H,7,14-17H2,1-6H3
InChIKeyYTRGQUJFFJUTGS-UHFFFAOYSA-N
MW551.78 g/mol
LogP6.22
Rot. Bonds6

About 4-(4-tert-butylphenyl)-N-[2-ethyl-6-(1-methylsulfonylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]-N-methyl-1,3-thiazol-2-amine

4-(4-tert-butylphenyl)-N-[2-ethyl-6-(1-methylsulfonylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]-N-methyl-1,3-thiazol-2-amine (PubChem CID 78426290) has the molecular formula C29H37N5O2S2 and a molecular weight of 551.78 g/mol. Its IUPAC name is 4-(4-tert-butylphenyl)-N-[2-ethyl-6-(1-methylsulfonylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]-N-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(4-tert-butylphenyl)-N-[2-ethyl-6-(1-methylsulfonylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]-N-methyl-1,3-thiazol-2-amine
PubChem CID78426290
Molecular FormulaC29H37N5O2S2
Molecular Weight551.78 g/mol
Exact Mass551.24
IUPAC Name4-(4-tert-butylphenyl)-N-[2-ethyl-6-(1-methylsulfonylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]-N-methyl-1,3-thiazol-2-amine
SMILESCCc1nc2ccc(C3CCN(S(C)(=O)=O)CC3)cn2c1N(C)c1nc(-c2ccc(C(C)(C)C)cc2)cs1
InChIInChI=1S/C29H37N5O2S2/c1-7-24-27(32(5)28-31-25(19-37-28)21-8-11-23(12-9-21)29(2,3)4)34-18-22(10-13-26(34)30-24)20-14-16-33(17-15-20)38(6,35)36/h8-13,18-20H,7,14-17H2,1-6H3
InChIKeyYTRGQUJFFJUTGS-UHFFFAOYSA-N
XLogP6.22
TPSA70.81 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.78
LogP ≤ 56.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-(4-tert-butylphenyl)-N-[2-ethyl-6-(1-methylsulfonylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]-N-methyl-1,3-thiazol-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butylphenyl)-N-[2-ethyl-6-(1-methylsulfonylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]-N-methyl-1,3-thiazol-2-amine?
The IUPAC name of 4-(4-tert-butylphenyl)-N-[2-ethyl-6-(1-methylsulfonylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]-N-methyl-1,3-thiazol-2-amine (CID 78426290) is 4-(4-tert-butylphenyl)-N-[2-ethyl-6-(1-methylsulfonylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]-N-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(4-tert-butylphenyl)-N-[2-ethyl-6-(1-methylsulfonylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]-N-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 4-(4-tert-butylphenyl)-N-[2-ethyl-6-(1-methylsulfonylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]-N-methyl-1,3-thiazol-2-amine is CCc1nc2ccc(C3CCN(S(C)(=O)=O)CC3)cn2c1N(C)c1nc(-c2ccc(C(C)(C)C)cc2)cs1.
What is the InChIKey of 4-(4-tert-butylphenyl)-N-[2-ethyl-6-(1-methylsulfonylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]-N-methyl-1,3-thiazol-2-amine?
The InChIKey is YTRGQUJFFJUTGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37N5O2S2/c1-7-24-27(32(5)28-31-25(19-37-28)21-8-11-23(12-9-21)29(2,3)4)34-18-22(10-13-26(34)30-24)20-14-16-33(17-15-20)38(6,35)36/h8-13,18-20H,7,14-17H2,1-6H3.
What are the key properties of 4-(4-tert-butylphenyl)-N-[2-ethyl-6-(1-methylsulfonylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]-N-methyl-1,3-thiazol-2-amine?
4-(4-tert-butylphenyl)-N-[2-ethyl-6-(1-methylsulfonylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]-N-methyl-1,3-thiazol-2-amine has a molecular weight of 551.78 g/mol, XLogP of 6.22, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butylphenyl)-N-[2-ethyl-6-(1-methylsulfonylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]-N-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 78426290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).