2-methyl-1-[4-[(4-phenyl-1,3-thiazol-2-yl)methylamino]piperidin-1-yl]propan-1-one

C19H25N3OS — CID 119121832

IUPAC2-methyl-1-[4-[(4-phenyl-1,3-thiazol-2-yl)methylamino]piperidin-1-yl]propan-1-one
SMILESCC(C)C(=O)N1CCC(NCc2nc(-c3ccccc3)cs2)CC1
InChIInChI=1S/C19H25N3OS/c1-14(2)19(23)22-10-8-16(9-11-22)20-12-18-21-17(13-24-18)15-6-4-3-5-7-15/h3-7,13-14,16,20H,8-12H2,1-2H3
InChIKeyKRKPKUMUKNGHJB-UHFFFAOYSA-N
MW343.50 g/mol
LogP3.55
Rot. Bonds5

About 2-methyl-1-[4-[(4-phenyl-1,3-thiazol-2-yl)methylamino]piperidin-1-yl]propan-1-one

2-methyl-1-[4-[(4-phenyl-1,3-thiazol-2-yl)methylamino]piperidin-1-yl]propan-1-one (PubChem CID 119121832) has the molecular formula C19H25N3OS and a molecular weight of 343.50 g/mol. Its IUPAC name is 2-methyl-1-[4-[(4-phenyl-1,3-thiazol-2-yl)methylamino]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-methyl-1-[4-[(4-phenyl-1,3-thiazol-2-yl)methylamino]piperidin-1-yl]propan-1-one
PubChem CID119121832
Molecular FormulaC19H25N3OS
Molecular Weight343.50 g/mol
Exact Mass343.17
IUPAC Name2-methyl-1-[4-[(4-phenyl-1,3-thiazol-2-yl)methylamino]piperidin-1-yl]propan-1-one
SMILESCC(C)C(=O)N1CCC(NCc2nc(-c3ccccc3)cs2)CC1
InChIInChI=1S/C19H25N3OS/c1-14(2)19(23)22-10-8-16(9-11-22)20-12-18-21-17(13-24-18)15-6-4-3-5-7-15/h3-7,13-14,16,20H,8-12H2,1-2H3
InChIKeyKRKPKUMUKNGHJB-UHFFFAOYSA-N
XLogP3.55
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.50
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methyl-1-[4-[(4-phenyl-1,3-thiazol-2-yl)methylamino]piperidin-1-yl]propan-1-one with MolForge

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Related Compounds

3-hydroxy-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperidine-1-carboxamide
CID 110901412
ethyl 4-[[N'-methyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]carbamimidoyl]amino]piperidine-1-carboxylate
CID 111330270
1,1-dioxo-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]thiolan-3-amine
CID 62900326
3-methoxy-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]cyclobutan-1-amine
CID 104587891
1,3-dimethyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperidin-4-amine
CID 115615393
1-[4-[(4-ethylphenyl)methylamino]piperidin-1-yl]-2-methylpropan-1-one
CID 43434832
2,2,3,3-tetramethyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]cyclopropan-1-amine
CID 79359346
2-cyclopropyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]propan-2-amine
CID 103700231
1-(4-fluorobenzoyl)-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperidine-4-carboxamide
CID 55663679
1-[4-(furan-3-ylmethylamino)piperidin-1-yl]-2-methylpropan-1-one
CID 63000805
1-tert-butylsulfanyl-3-(4-phenyl-1,3-thiazol-2-yl)propan-2-one
CID 79819644
1-[4-[(5-chloro-2-fluorophenyl)methylamino]piperidin-1-yl]-2-methylpropan-1-one
CID 115761707

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[4-[(4-phenyl-1,3-thiazol-2-yl)methylamino]piperidin-1-yl]propan-1-one?
The IUPAC name of 2-methyl-1-[4-[(4-phenyl-1,3-thiazol-2-yl)methylamino]piperidin-1-yl]propan-1-one (CID 119121832) is 2-methyl-1-[4-[(4-phenyl-1,3-thiazol-2-yl)methylamino]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 2-methyl-1-[4-[(4-phenyl-1,3-thiazol-2-yl)methylamino]piperidin-1-yl]propan-1-one?
The canonical SMILES for 2-methyl-1-[4-[(4-phenyl-1,3-thiazol-2-yl)methylamino]piperidin-1-yl]propan-1-one is CC(C)C(=O)N1CCC(NCc2nc(-c3ccccc3)cs2)CC1.
What is the InChIKey of 2-methyl-1-[4-[(4-phenyl-1,3-thiazol-2-yl)methylamino]piperidin-1-yl]propan-1-one?
The InChIKey is KRKPKUMUKNGHJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3OS/c1-14(2)19(23)22-10-8-16(9-11-22)20-12-18-21-17(13-24-18)15-6-4-3-5-7-15/h3-7,13-14,16,20H,8-12H2,1-2H3.
What are the key properties of 2-methyl-1-[4-[(4-phenyl-1,3-thiazol-2-yl)methylamino]piperidin-1-yl]propan-1-one?
2-methyl-1-[4-[(4-phenyl-1,3-thiazol-2-yl)methylamino]piperidin-1-yl]propan-1-one has a molecular weight of 343.50 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[4-[(4-phenyl-1,3-thiazol-2-yl)methylamino]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 119121832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).