N-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-2-hydroxy-2-phenylbutanamide

C18H22N2O2S — CID 146147751

IUPACN-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-2-hydroxy-2-phenylbutanamide
SMILESCCC(O)(C(=O)Nc1nc2c(s1)CCC2(C)C)c1ccccc1
InChIInChI=1S/C18H22N2O2S/c1-4-18(22,12-8-6-5-7-9-12)15(21)20-16-19-14-13(23-16)10-11-17(14,2)3/h5-9,22H,4,10-11H2,1-3H3,(H,19,20,21)
InChIKeyRPDQEPAACICIKL-UHFFFAOYSA-N
MW330.45 g/mol
LogP3.60
Rot. Bonds4

About N-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-2-hydroxy-2-phenylbutanamide

N-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-2-hydroxy-2-phenylbutanamide (PubChem CID 146147751) has the molecular formula C18H22N2O2S and a molecular weight of 330.45 g/mol. Its IUPAC name is N-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-2-hydroxy-2-phenylbutanamide.

Molecular Properties

Compound NameN-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-2-hydroxy-2-phenylbutanamide
PubChem CID146147751
Molecular FormulaC18H22N2O2S
Molecular Weight330.45 g/mol
Exact Mass330.14
IUPAC NameN-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-2-hydroxy-2-phenylbutanamide
SMILESCCC(O)(C(=O)Nc1nc2c(s1)CCC2(C)C)c1ccccc1
InChIInChI=1S/C18H22N2O2S/c1-4-18(22,12-8-6-5-7-9-12)15(21)20-16-19-14-13(23-16)10-11-17(14,2)3/h5-9,22H,4,10-11H2,1-3H3,(H,19,20,21)
InChIKeyRPDQEPAACICIKL-UHFFFAOYSA-N
XLogP3.60
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-2-hydroxy-2-phenylbutanamide?
The IUPAC name of N-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-2-hydroxy-2-phenylbutanamide (CID 146147751) is N-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-2-hydroxy-2-phenylbutanamide.
What is the SMILES notation for N-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-2-hydroxy-2-phenylbutanamide?
The canonical SMILES for N-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-2-hydroxy-2-phenylbutanamide is CCC(O)(C(=O)Nc1nc2c(s1)CCC2(C)C)c1ccccc1.
What is the InChIKey of N-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-2-hydroxy-2-phenylbutanamide?
The InChIKey is RPDQEPAACICIKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2S/c1-4-18(22,12-8-6-5-7-9-12)15(21)20-16-19-14-13(23-16)10-11-17(14,2)3/h5-9,22H,4,10-11H2,1-3H3,(H,19,20,21).
What are the key properties of N-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-2-hydroxy-2-phenylbutanamide?
N-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-2-hydroxy-2-phenylbutanamide has a molecular weight of 330.45 g/mol, XLogP of 3.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-2-hydroxy-2-phenylbutanamide is sourced from PubChem (CID 146147751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).