(2-amino-4-phenyl-1,3-thiazol-5-yl)-(3-methylpiperidin-1-yl)methanone

C16H19N3OS — CID 82035056

IUPAC(2-amino-4-phenyl-1,3-thiazol-5-yl)-(3-methylpiperidin-1-yl)methanone
SMILESCC1CCCN(C(=O)c2sc(N)nc2-c2ccccc2)C1
InChIInChI=1S/C16H19N3OS/c1-11-6-5-9-19(10-11)15(20)14-13(18-16(17)21-14)12-7-3-2-4-8-12/h2-4,7-8,11H,5-6,9-10H2,1H3,(H2,17,18)
InChIKeyXLUAQVGXOPHNKH-UHFFFAOYSA-N
MW301.41 g/mol
LogP3.26
Rot. Bonds2

About (2-amino-4-phenyl-1,3-thiazol-5-yl)-(3-methylpiperidin-1-yl)methanone

(2-amino-4-phenyl-1,3-thiazol-5-yl)-(3-methylpiperidin-1-yl)methanone (PubChem CID 82035056) has the molecular formula C16H19N3OS and a molecular weight of 301.41 g/mol. Its IUPAC name is (2-amino-4-phenyl-1,3-thiazol-5-yl)-(3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2-amino-4-phenyl-1,3-thiazol-5-yl)-(3-methylpiperidin-1-yl)methanone
PubChem CID82035056
Molecular FormulaC16H19N3OS
Molecular Weight301.41 g/mol
Exact Mass301.12
IUPAC Name(2-amino-4-phenyl-1,3-thiazol-5-yl)-(3-methylpiperidin-1-yl)methanone
SMILESCC1CCCN(C(=O)c2sc(N)nc2-c2ccccc2)C1
InChIInChI=1S/C16H19N3OS/c1-11-6-5-9-19(10-11)15(20)14-13(18-16(17)21-14)12-7-3-2-4-8-12/h2-4,7-8,11H,5-6,9-10H2,1H3,(H2,17,18)
InChIKeyXLUAQVGXOPHNKH-UHFFFAOYSA-N
XLogP3.26
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-amino-4-phenyl-1,3-thiazol-5-yl)-(2-methylpiperidin-1-yl)methanone
CID 82035057
(3R)-1-(2-methyl-4-phenyl-1,3-thiazole-5-carbonyl)piperidine-3-carboxylic acid
CID 99821823
(2-methyl-4-phenyl-1,3-thiazol-5-yl)-pyrrolidin-1-ylmethanone
CID 24638936
(2-amino-4-phenyl-1,3-thiazol-5-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 39115726
[(3R)-3-methylpiperidin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone
CID 27258020
[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]-(2-methyl-4-phenyl-1,3-thiazol-5-yl)methanone
CID 96573315
(3-methylpiperidin-1-yl)-(2-phenylphenyl)methanone
CID 145074251
(3-methylpiperidin-1-yl)-(6-phenylpyridazin-3-yl)methanone
CID 113200594
(5-aminothieno[2,3-c]pyridazin-6-yl)-(3-methylpiperidin-1-yl)methanone
CID 80518435
[6-(3-methylpiperidine-1-carbonyl)-2-pyridinyl]-piperidin-1-ylmethanone
CID 109095169
(2,4-dimethyl-1,3-thiazol-5-yl)-[(3S)-3-methylpiperidin-1-yl]methanone
CID 95274470
(5-amino-1,3,4-thiadiazol-2-yl)-(3-methylpiperidin-1-yl)methanone
CID 80615611

Frequently Asked Questions

What is the IUPAC name of (2-amino-4-phenyl-1,3-thiazol-5-yl)-(3-methylpiperidin-1-yl)methanone?
The IUPAC name of (2-amino-4-phenyl-1,3-thiazol-5-yl)-(3-methylpiperidin-1-yl)methanone (CID 82035056) is (2-amino-4-phenyl-1,3-thiazol-5-yl)-(3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (2-amino-4-phenyl-1,3-thiazol-5-yl)-(3-methylpiperidin-1-yl)methanone?
The canonical SMILES for (2-amino-4-phenyl-1,3-thiazol-5-yl)-(3-methylpiperidin-1-yl)methanone is CC1CCCN(C(=O)c2sc(N)nc2-c2ccccc2)C1.
What is the InChIKey of (2-amino-4-phenyl-1,3-thiazol-5-yl)-(3-methylpiperidin-1-yl)methanone?
The InChIKey is XLUAQVGXOPHNKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3OS/c1-11-6-5-9-19(10-11)15(20)14-13(18-16(17)21-14)12-7-3-2-4-8-12/h2-4,7-8,11H,5-6,9-10H2,1H3,(H2,17,18).
What are the key properties of (2-amino-4-phenyl-1,3-thiazol-5-yl)-(3-methylpiperidin-1-yl)methanone?
(2-amino-4-phenyl-1,3-thiazol-5-yl)-(3-methylpiperidin-1-yl)methanone has a molecular weight of 301.41 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-4-phenyl-1,3-thiazol-5-yl)-(3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 82035056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).