(4-methylthiophen-2-yl)-[(3R)-3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone

C14H16N2OS2 — CID 125024129

IUPAC(4-methylthiophen-2-yl)-[(3R)-3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
SMILESCc1csc(C(=O)N2CCC[C@@H](c3nccs3)C2)c1
InChIInChI=1S/C14H16N2OS2/c1-10-7-12(19-9-10)14(17)16-5-2-3-11(8-16)13-15-4-6-18-13/h4,6-7,9,11H,2-3,5,8H2,1H3/t11-/m1/s1
InChIKeyZDEXXRIFYZUUOM-LLVKDONJSA-N
MW292.43 g/mol
LogP3.53
Rot. Bonds2

About (4-methylthiophen-2-yl)-[(3R)-3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone

(4-methylthiophen-2-yl)-[(3R)-3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone (PubChem CID 125024129) has the molecular formula C14H16N2OS2 and a molecular weight of 292.43 g/mol. Its IUPAC name is (4-methylthiophen-2-yl)-[(3R)-3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-methylthiophen-2-yl)-[(3R)-3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
PubChem CID125024129
Molecular FormulaC14H16N2OS2
Molecular Weight292.43 g/mol
Exact Mass292.07
IUPAC Name(4-methylthiophen-2-yl)-[(3R)-3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
SMILESCc1csc(C(=O)N2CCC[C@@H](c3nccs3)C2)c1
InChIInChI=1S/C14H16N2OS2/c1-10-7-12(19-9-10)14(17)16-5-2-3-11(8-16)13-15-4-6-18-13/h4,6-7,9,11H,2-3,5,8H2,1H3/t11-/m1/s1
InChIKeyZDEXXRIFYZUUOM-LLVKDONJSA-N
XLogP3.53
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3-methylthiophen-2-yl)-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 127247570
[(3S)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]-(4-methylthiophen-2-yl)methanone
CID 124967286
(4-methylpyrimidin-5-yl)-[(3R)-3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 124553964
(3-ethyl-1,2-oxazol-5-yl)-[(3S)-3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 124953619
2-amino-1-[3-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone;dihydrochloride
CID 119873436
(3-propan-2-yl-1,2-oxazol-5-yl)-[(3R)-3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 124992269
(2R)-2-amino-1-[3-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one;dihydrochloride
CID 119873434
[3-(methoxymethyl)piperidin-1-yl]-(4-methylthiophen-2-yl)methanone
CID 52992866
3-(1,3-thiazol-2-yl)azepane-1-carboxamide
CID 67258050
N-[5-[3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]thiophen-2-yl]cyclopropanecarboxamide
CID 86903169
(3-ethyl-5-methyl-1,2-oxazol-4-yl)-[(3R)-3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 124987262
(2-hydroxycyclopentyl)-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 110014632

Frequently Asked Questions

What is the IUPAC name of (4-methylthiophen-2-yl)-[(3R)-3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone?
The IUPAC name of (4-methylthiophen-2-yl)-[(3R)-3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone (CID 125024129) is (4-methylthiophen-2-yl)-[(3R)-3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (4-methylthiophen-2-yl)-[(3R)-3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for (4-methylthiophen-2-yl)-[(3R)-3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone is Cc1csc(C(=O)N2CCC[C@@H](c3nccs3)C2)c1.
What is the InChIKey of (4-methylthiophen-2-yl)-[(3R)-3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone?
The InChIKey is ZDEXXRIFYZUUOM-LLVKDONJSA-N. The full InChI is InChI=1S/C14H16N2OS2/c1-10-7-12(19-9-10)14(17)16-5-2-3-11(8-16)13-15-4-6-18-13/h4,6-7,9,11H,2-3,5,8H2,1H3/t11-/m1/s1.
What are the key properties of (4-methylthiophen-2-yl)-[(3R)-3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone?
(4-methylthiophen-2-yl)-[(3R)-3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone has a molecular weight of 292.43 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylthiophen-2-yl)-[(3R)-3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 125024129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).