1-[4-methyl-1,1-dioxo-5-(4-propan-2-ylphenyl)-1,2-thiazol-3-yl]piperidin-4-amine;hydrochloride

C18H26ClN3O2S — CID 75539407

IUPAC1-[4-methyl-1,1-dioxo-5-(4-propan-2-ylphenyl)-1,2-thiazol-3-yl]piperidin-4-amine;hydrochloride
SMILESCC1=C(c2ccc(C(C)C)cc2)S(=O)(=O)N=C1N1CCC(N)CC1.Cl
InChIInChI=1S/C18H25N3O2S.ClH/c1-12(2)14-4-6-15(7-5-14)17-13(3)18(20-24(17,22)23)21-10-8-16(19)9-11-21;/h4-7,12,16H,8-11,19H2,1-3H3;1H
InChIKeyAQKKYHNVTIHZGA-UHFFFAOYSA-N
MW383.95 g/mol
LogP3.13
Rot. Bonds2

About 1-[4-methyl-1,1-dioxo-5-(4-propan-2-ylphenyl)-1,2-thiazol-3-yl]piperidin-4-amine;hydrochloride

1-[4-methyl-1,1-dioxo-5-(4-propan-2-ylphenyl)-1,2-thiazol-3-yl]piperidin-4-amine;hydrochloride (PubChem CID 75539407) has the molecular formula C18H26ClN3O2S and a molecular weight of 383.95 g/mol. Its IUPAC name is 1-[4-methyl-1,1-dioxo-5-(4-propan-2-ylphenyl)-1,2-thiazol-3-yl]piperidin-4-amine;hydrochloride.

Molecular Properties

Compound Name1-[4-methyl-1,1-dioxo-5-(4-propan-2-ylphenyl)-1,2-thiazol-3-yl]piperidin-4-amine;hydrochloride
PubChem CID75539407
Molecular FormulaC18H26ClN3O2S
Molecular Weight383.95 g/mol
Exact Mass383.14
IUPAC Name1-[4-methyl-1,1-dioxo-5-(4-propan-2-ylphenyl)-1,2-thiazol-3-yl]piperidin-4-amine;hydrochloride
SMILESCC1=C(c2ccc(C(C)C)cc2)S(=O)(=O)N=C1N1CCC(N)CC1.Cl
InChIInChI=1S/C18H25N3O2S.ClH/c1-12(2)14-4-6-15(7-5-14)17-13(3)18(20-24(17,22)23)21-10-8-16(19)9-11-21;/h4-7,12,16H,8-11,19H2,1-3H3;1H
InChIKeyAQKKYHNVTIHZGA-UHFFFAOYSA-N
XLogP3.13
TPSA75.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.95
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-methyl-1,1-dioxo-5-(4-propan-2-ylphenyl)-1,2-thiazol-3-yl]piperidin-4-amine;hydrochloride?
The IUPAC name of 1-[4-methyl-1,1-dioxo-5-(4-propan-2-ylphenyl)-1,2-thiazol-3-yl]piperidin-4-amine;hydrochloride (CID 75539407) is 1-[4-methyl-1,1-dioxo-5-(4-propan-2-ylphenyl)-1,2-thiazol-3-yl]piperidin-4-amine;hydrochloride.
What is the SMILES notation for 1-[4-methyl-1,1-dioxo-5-(4-propan-2-ylphenyl)-1,2-thiazol-3-yl]piperidin-4-amine;hydrochloride?
The canonical SMILES for 1-[4-methyl-1,1-dioxo-5-(4-propan-2-ylphenyl)-1,2-thiazol-3-yl]piperidin-4-amine;hydrochloride is CC1=C(c2ccc(C(C)C)cc2)S(=O)(=O)N=C1N1CCC(N)CC1.Cl.
What is the InChIKey of 1-[4-methyl-1,1-dioxo-5-(4-propan-2-ylphenyl)-1,2-thiazol-3-yl]piperidin-4-amine;hydrochloride?
The InChIKey is AQKKYHNVTIHZGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2S.ClH/c1-12(2)14-4-6-15(7-5-14)17-13(3)18(20-24(17,22)23)21-10-8-16(19)9-11-21;/h4-7,12,16H,8-11,19H2,1-3H3;1H.
What are the key properties of 1-[4-methyl-1,1-dioxo-5-(4-propan-2-ylphenyl)-1,2-thiazol-3-yl]piperidin-4-amine;hydrochloride?
1-[4-methyl-1,1-dioxo-5-(4-propan-2-ylphenyl)-1,2-thiazol-3-yl]piperidin-4-amine;hydrochloride has a molecular weight of 383.95 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methyl-1,1-dioxo-5-(4-propan-2-ylphenyl)-1,2-thiazol-3-yl]piperidin-4-amine;hydrochloride is sourced from PubChem (CID 75539407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).