(2,4-diphenyl-1,3-thiazol-5-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone

C26H29N3OS — CID 54583640

IUPAC(2,4-diphenyl-1,3-thiazol-5-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone
SMILESO=C(c1sc(-c2ccccc2)nc1-c1ccccc1)N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C26H29N3OS/c30-26(29-18-14-22(15-19-29)28-16-8-3-9-17-28)24-23(20-10-4-1-5-11-20)27-25(31-24)21-12-6-2-7-13-21/h1-2,4-7,10-13,22H,3,8-9,14-19H2
InChIKeyYYEMKPWAZHVRGK-UHFFFAOYSA-N
MW431.61 g/mol
LogP5.57
Rot. Bonds4

About (2,4-diphenyl-1,3-thiazol-5-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone

(2,4-diphenyl-1,3-thiazol-5-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone (PubChem CID 54583640) has the molecular formula C26H29N3OS and a molecular weight of 431.61 g/mol. Its IUPAC name is (2,4-diphenyl-1,3-thiazol-5-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2,4-diphenyl-1,3-thiazol-5-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone
PubChem CID54583640
Molecular FormulaC26H29N3OS
Molecular Weight431.61 g/mol
Exact Mass431.20
IUPAC Name(2,4-diphenyl-1,3-thiazol-5-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone
SMILESO=C(c1sc(-c2ccccc2)nc1-c1ccccc1)N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C26H29N3OS/c30-26(29-18-14-22(15-19-29)28-16-8-3-9-17-28)24-23(20-10-4-1-5-11-20)27-25(31-24)21-12-6-2-7-13-21/h1-2,4-7,10-13,22H,3,8-9,14-19H2
InChIKeyYYEMKPWAZHVRGK-UHFFFAOYSA-N
XLogP5.57
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.61
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-3-amino-4-(2,5-difluorophenyl)-1-[2-(4-fluorophenyl)-4H,5H,6H,7H-pyrido[3,4-d][1,3]thiazol-5-yl]butan-1-one
CID 10388027
(3R)-3-amino-4-(2,5-difluorophenyl)-1-[2-(4-fluorophenyl)-4H,5H,6H,7H-pyrido[4,3-d][1,3]thiazol-5-yl]butan-1-one
CID 23645940
(3R)-3-amino-4-(2,5-difluorophenyl)-1-{2-[4-(trifluoromethyl)phenyl]-4H,5H,6H,7H-pyrido[4,3-d][1,3]thiazol-5-yl}butan-1-one
CID 23645941
5-Methyl-2-(2-phenylethynyl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one
CID 53246020
N-(2-diethylaminoethyl)-2,4-diphenyl-thiazole-5-carboxamide
CID 54583639
(2-Morpholino-4-phenylthiazol-5-yl)(piperidin-1-yl)methanone
CID 1236967
N-allyl-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 3795905
N-[3-(diethylamino)propyl]-2,4-diphenyl-thiazole-5-carboxamide
CID 54586543
cyclohexyl-[2-(2-phenylethynyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methanone
CID 71713171
(3-methylphenyl)-[2-(2-phenylethynyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methanone
CID 71713325
(3-fluorophenyl)-[2-(2-phenylethynyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methanone
CID 71713327
(4-Methyl-2-naphthalen-1-yl-1,3-thiazol-5-yl)-(4-methylpiperazin-1-yl)methanone
CID 137637165

Frequently Asked Questions

What is the IUPAC name of (2,4-diphenyl-1,3-thiazol-5-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone?
The IUPAC name of (2,4-diphenyl-1,3-thiazol-5-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone (CID 54583640) is (2,4-diphenyl-1,3-thiazol-5-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone.
What is the SMILES notation for (2,4-diphenyl-1,3-thiazol-5-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone?
The canonical SMILES for (2,4-diphenyl-1,3-thiazol-5-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone is O=C(c1sc(-c2ccccc2)nc1-c1ccccc1)N1CCC(N2CCCCC2)CC1.
What is the InChIKey of (2,4-diphenyl-1,3-thiazol-5-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone?
The InChIKey is YYEMKPWAZHVRGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3OS/c30-26(29-18-14-22(15-19-29)28-16-8-3-9-17-28)24-23(20-10-4-1-5-11-20)27-25(31-24)21-12-6-2-7-13-21/h1-2,4-7,10-13,22H,3,8-9,14-19H2.
What are the key properties of (2,4-diphenyl-1,3-thiazol-5-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone?
(2,4-diphenyl-1,3-thiazol-5-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone has a molecular weight of 431.61 g/mol, XLogP of 5.57, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-diphenyl-1,3-thiazol-5-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 54583640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).