1-(2-methylpiperidin-1-yl)-2-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-1-one

C18H23N3OS — CID 133372121

IUPAC1-(2-methylpiperidin-1-yl)-2-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-1-one
SMILESCC(Nc1nc(-c2ccccc2)cs1)C(=O)N1CCCCC1C
InChIInChI=1S/C18H23N3OS/c1-13-8-6-7-11-21(13)17(22)14(2)19-18-20-16(12-23-18)15-9-4-3-5-10-15/h3-5,9-10,12-14H,6-8,11H2,1-2H3,(H,19,20)
InChIKeyDDTJWPKBRGBISJ-UHFFFAOYSA-N
MW329.47 g/mol
LogP4.01
Rot. Bonds4

About 1-(2-methylpiperidin-1-yl)-2-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-1-one

1-(2-methylpiperidin-1-yl)-2-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-1-one (PubChem CID 133372121) has the molecular formula C18H23N3OS and a molecular weight of 329.47 g/mol. Its IUPAC name is 1-(2-methylpiperidin-1-yl)-2-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-1-one.

Molecular Properties

Compound Name1-(2-methylpiperidin-1-yl)-2-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-1-one
PubChem CID133372121
Molecular FormulaC18H23N3OS
Molecular Weight329.47 g/mol
Exact Mass329.16
IUPAC Name1-(2-methylpiperidin-1-yl)-2-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-1-one
SMILESCC(Nc1nc(-c2ccccc2)cs1)C(=O)N1CCCCC1C
InChIInChI=1S/C18H23N3OS/c1-13-8-6-7-11-21(13)17(22)14(2)19-18-20-16(12-23-18)15-9-4-3-5-10-15/h3-5,9-10,12-14H,6-8,11H2,1-2H3,(H,19,20)
InChIKeyDDTJWPKBRGBISJ-UHFFFAOYSA-N
XLogP4.01
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(2-methylpiperidin-1-yl)-2-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-1-one with MolForge

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Related Compounds

2-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 3685808
N-(4-phenyl-1,3-thiazol-2-yl)cyclopentanecarboxamide
CID 2163654
2-[[4-methyl-5-[[(4-phenyl-1,3-thiazol-2-yl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]-1-(2-methylpiperidin-1-yl)ethanone
CID 3206710
6-[[(2S)-1-[(2R)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]amino]pyridine-2-carboxamide
CID 97349074
4-[(2R)-2-methylpiperidin-1-yl]sulfonyl-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 41073040
(2S)-2-[(5-fluoro-2-pyridinyl)amino]-1-[(2S)-2-methylpiperidin-1-yl]propan-1-one
CID 124880339
N-[(2S)-1-[(2R)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]-1,3-dihydroisoindole-2-carboxamide
CID 95612434
N-[(2R)-1-[(2S)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]quinoxaline-2-carboxamide
CID 95296071
4-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]benzoic acid
CID 59807342
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]propanamide
CID 55565869
cis-(1S,2R)-2-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]carbamoyl]cyclohexane-1-carboxylic acid
CID 1000957
(2R)-1-[(2R)-2-methylpiperidin-1-yl]-2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropan-1-one
CID 1152164

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpiperidin-1-yl)-2-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-1-one?
The IUPAC name of 1-(2-methylpiperidin-1-yl)-2-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-1-one (CID 133372121) is 1-(2-methylpiperidin-1-yl)-2-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-1-one.
What is the SMILES notation for 1-(2-methylpiperidin-1-yl)-2-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-1-one?
The canonical SMILES for 1-(2-methylpiperidin-1-yl)-2-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-1-one is CC(Nc1nc(-c2ccccc2)cs1)C(=O)N1CCCCC1C.
What is the InChIKey of 1-(2-methylpiperidin-1-yl)-2-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-1-one?
The InChIKey is DDTJWPKBRGBISJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3OS/c1-13-8-6-7-11-21(13)17(22)14(2)19-18-20-16(12-23-18)15-9-4-3-5-10-15/h3-5,9-10,12-14H,6-8,11H2,1-2H3,(H,19,20).
What are the key properties of 1-(2-methylpiperidin-1-yl)-2-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-1-one?
1-(2-methylpiperidin-1-yl)-2-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-1-one has a molecular weight of 329.47 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpiperidin-1-yl)-2-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-1-one is sourced from PubChem (CID 133372121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).