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

C17H28N4OS — CID 1439736

IUPAC(2S)-N-(5-methyl-1,3-thiazol-2-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)propanamide
SMILESCc1cnc(NC(=O)[C@H](C)N2CCC(N3CCCCC3)CC2)s1
InChIInChI=1S/C17H28N4OS/c1-13-12-18-17(23-13)19-16(22)14(2)20-10-6-15(7-11-20)21-8-4-3-5-9-21/h12,14-15H,3-11H2,1-2H3,(H,18,19,22)/t14-/m0/s1
InChIKeyCWQROWFLRGUYHW-AWEZNQCLSA-N
MW336.50 g/mol
LogP2.73
Rot. Bonds4

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

(2S)-N-(5-methyl-1,3-thiazol-2-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)propanamide (PubChem CID 1439736) has the molecular formula C17H28N4OS and a molecular weight of 336.50 g/mol. Its IUPAC name is (2S)-N-(5-methyl-1,3-thiazol-2-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)propanamide.

Molecular Properties

Compound Name(2S)-N-(5-methyl-1,3-thiazol-2-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)propanamide
PubChem CID1439736
Molecular FormulaC17H28N4OS
Molecular Weight336.50 g/mol
Exact Mass336.20
IUPAC Name(2S)-N-(5-methyl-1,3-thiazol-2-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)propanamide
SMILESCc1cnc(NC(=O)[C@H](C)N2CCC(N3CCCCC3)CC2)s1
InChIInChI=1S/C17H28N4OS/c1-13-12-18-17(23-13)19-16(22)14(2)20-10-6-15(7-11-20)21-8-4-3-5-9-21/h12,14-15H,3-11H2,1-2H3,(H,18,19,22)/t14-/m0/s1
InChIKeyCWQROWFLRGUYHW-AWEZNQCLSA-N
XLogP2.73
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.50
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(5-methyl-1,3-thiazol-2-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)propanamide?
The IUPAC name of (2S)-N-(5-methyl-1,3-thiazol-2-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)propanamide (CID 1439736) is (2S)-N-(5-methyl-1,3-thiazol-2-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)propanamide.
What is the SMILES notation for (2S)-N-(5-methyl-1,3-thiazol-2-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)propanamide?
The canonical SMILES for (2S)-N-(5-methyl-1,3-thiazol-2-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)propanamide is Cc1cnc(NC(=O)[C@H](C)N2CCC(N3CCCCC3)CC2)s1.
What is the InChIKey of (2S)-N-(5-methyl-1,3-thiazol-2-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)propanamide?
The InChIKey is CWQROWFLRGUYHW-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H28N4OS/c1-13-12-18-17(23-13)19-16(22)14(2)20-10-6-15(7-11-20)21-8-4-3-5-9-21/h12,14-15H,3-11H2,1-2H3,(H,18,19,22)/t14-/m0/s1.
What are the key properties of (2S)-N-(5-methyl-1,3-thiazol-2-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)propanamide?
(2S)-N-(5-methyl-1,3-thiazol-2-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)propanamide has a molecular weight of 336.50 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(5-methyl-1,3-thiazol-2-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)propanamide is sourced from PubChem (CID 1439736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).