[4-(methylaminomethyl)piperidin-1-yl]-(2-phenyl-1,3-thiazol-4-yl)methanone

C17H21N3OS — CID 119546686

IUPAC[4-(methylaminomethyl)piperidin-1-yl]-(2-phenyl-1,3-thiazol-4-yl)methanone
SMILESCNCC1CCN(C(=O)c2csc(-c3ccccc3)n2)CC1
InChIInChI=1S/C17H21N3OS/c1-18-11-13-7-9-20(10-8-13)17(21)15-12-22-16(19-15)14-5-3-2-4-6-14/h2-6,12-13,18H,7-11H2,1H3
InChIKeySZHWJFAKIHFDCB-UHFFFAOYSA-N
MW315.44 g/mol
LogP2.88
Rot. Bonds4

About [4-(methylaminomethyl)piperidin-1-yl]-(2-phenyl-1,3-thiazol-4-yl)methanone

[4-(methylaminomethyl)piperidin-1-yl]-(2-phenyl-1,3-thiazol-4-yl)methanone (PubChem CID 119546686) has the molecular formula C17H21N3OS and a molecular weight of 315.44 g/mol. Its IUPAC name is [4-(methylaminomethyl)piperidin-1-yl]-(2-phenyl-1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[4-(methylaminomethyl)piperidin-1-yl]-(2-phenyl-1,3-thiazol-4-yl)methanone
PubChem CID119546686
Molecular FormulaC17H21N3OS
Molecular Weight315.44 g/mol
Exact Mass315.14
IUPAC Name[4-(methylaminomethyl)piperidin-1-yl]-(2-phenyl-1,3-thiazol-4-yl)methanone
SMILESCNCC1CCN(C(=O)c2csc(-c3ccccc3)n2)CC1
InChIInChI=1S/C17H21N3OS/c1-18-11-13-7-9-20(10-8-13)17(21)15-12-22-16(19-15)14-5-3-2-4-6-14/h2-6,12-13,18H,7-11H2,1H3
InChIKeySZHWJFAKIHFDCB-UHFFFAOYSA-N
XLogP2.88
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(methylaminomethyl)piperidin-1-yl]-[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methanone;dihydrochloride
CID 119546701
[4-(methylaminomethyl)piperidin-1-yl]-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone
CID 119546783
[3-(methylaminomethyl)pyrrolidin-1-yl]-[2-(1-phenylpyrazol-4-yl)-1,3-thiazol-4-yl]methanone
CID 119541911
[4-(methylaminomethyl)piperidin-1-yl]-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methanone;hydrochloride
CID 119546890
[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119539864
[4-(ethylaminomethyl)piperidin-1-yl]-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methanone
CID 119644862
[1-(2-phenyl-1,3-thiazole-4-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 51286859
(4-benzylpiperidin-1-yl)-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methanone
CID 55787641
[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 119645704
[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-[3-(methylaminomethyl)piperidin-1-yl]methanone;dihydrochloride
CID 119395928
[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-[3-(methylaminomethyl)piperidin-1-yl]methanone;dihydrochloride
CID 119398069
(3,5-dimethylpiperidin-1-yl)-(2-phenyl-1,3-thiazol-4-yl)methanone
CID 51204784

Frequently Asked Questions

What is the IUPAC name of [4-(methylaminomethyl)piperidin-1-yl]-(2-phenyl-1,3-thiazol-4-yl)methanone?
The IUPAC name of [4-(methylaminomethyl)piperidin-1-yl]-(2-phenyl-1,3-thiazol-4-yl)methanone (CID 119546686) is [4-(methylaminomethyl)piperidin-1-yl]-(2-phenyl-1,3-thiazol-4-yl)methanone.
What is the SMILES notation for [4-(methylaminomethyl)piperidin-1-yl]-(2-phenyl-1,3-thiazol-4-yl)methanone?
The canonical SMILES for [4-(methylaminomethyl)piperidin-1-yl]-(2-phenyl-1,3-thiazol-4-yl)methanone is CNCC1CCN(C(=O)c2csc(-c3ccccc3)n2)CC1.
What is the InChIKey of [4-(methylaminomethyl)piperidin-1-yl]-(2-phenyl-1,3-thiazol-4-yl)methanone?
The InChIKey is SZHWJFAKIHFDCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3OS/c1-18-11-13-7-9-20(10-8-13)17(21)15-12-22-16(19-15)14-5-3-2-4-6-14/h2-6,12-13,18H,7-11H2,1H3.
What are the key properties of [4-(methylaminomethyl)piperidin-1-yl]-(2-phenyl-1,3-thiazol-4-yl)methanone?
[4-(methylaminomethyl)piperidin-1-yl]-(2-phenyl-1,3-thiazol-4-yl)methanone has a molecular weight of 315.44 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(methylaminomethyl)piperidin-1-yl]-(2-phenyl-1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 119546686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).