(2S)-2-(4-methylpiperidin-1-yl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide

C13H21N3OS — CID 1439107

IUPAC(2S)-2-(4-methylpiperidin-1-yl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide
SMILESCc1cnc(NC(=O)[C@H](C)N2CCC(C)CC2)s1
InChIInChI=1S/C13H21N3OS/c1-9-4-6-16(7-5-9)11(3)12(17)15-13-14-8-10(2)18-13/h8-9,11H,4-7H2,1-3H3,(H,14,15,17)/t11-/m0/s1
InChIKeyYABVGWOQWRAPRT-NSHDSACASA-N
MW267.40 g/mol
LogP2.51
Rot. Bonds3

About (2S)-2-(4-methylpiperidin-1-yl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide

(2S)-2-(4-methylpiperidin-1-yl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide (PubChem CID 1439107) has the molecular formula C13H21N3OS and a molecular weight of 267.40 g/mol. Its IUPAC name is (2S)-2-(4-methylpiperidin-1-yl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-(4-methylpiperidin-1-yl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide
PubChem CID1439107
Molecular FormulaC13H21N3OS
Molecular Weight267.40 g/mol
Exact Mass267.14
IUPAC Name(2S)-2-(4-methylpiperidin-1-yl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide
SMILESCc1cnc(NC(=O)[C@H](C)N2CCC(C)CC2)s1
InChIInChI=1S/C13H21N3OS/c1-9-4-6-16(7-5-9)11(3)12(17)15-13-14-8-10(2)18-13/h8-9,11H,4-7H2,1-3H3,(H,14,15,17)/t11-/m0/s1
InChIKeyYABVGWOQWRAPRT-NSHDSACASA-N
XLogP2.51
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-methylpiperidin-1-yl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide?
The IUPAC name of (2S)-2-(4-methylpiperidin-1-yl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide (CID 1439107) is (2S)-2-(4-methylpiperidin-1-yl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for (2S)-2-(4-methylpiperidin-1-yl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide?
The canonical SMILES for (2S)-2-(4-methylpiperidin-1-yl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide is Cc1cnc(NC(=O)[C@H](C)N2CCC(C)CC2)s1.
What is the InChIKey of (2S)-2-(4-methylpiperidin-1-yl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide?
The InChIKey is YABVGWOQWRAPRT-NSHDSACASA-N. The full InChI is InChI=1S/C13H21N3OS/c1-9-4-6-16(7-5-9)11(3)12(17)15-13-14-8-10(2)18-13/h8-9,11H,4-7H2,1-3H3,(H,14,15,17)/t11-/m0/s1.
What are the key properties of (2S)-2-(4-methylpiperidin-1-yl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide?
(2S)-2-(4-methylpiperidin-1-yl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide has a molecular weight of 267.40 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-methylpiperidin-1-yl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 1439107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).