N-(2-hydroxy-2-methylpropyl)-4-(2-methylpiperidine-1-carbonyl)-1,3-thiazole-2-carboxamide

C15H23N3O3S — CID 121303272

IUPACN-(2-hydroxy-2-methylpropyl)-4-(2-methylpiperidine-1-carbonyl)-1,3-thiazole-2-carboxamide
SMILESCC1CCCCN1C(=O)c1csc(C(=O)NCC(C)(C)O)n1
InChIInChI=1S/C15H23N3O3S/c1-10-6-4-5-7-18(10)14(20)11-8-22-13(17-11)12(19)16-9-15(2,3)21/h8,10,21H,4-7,9H2,1-3H3,(H,16,19)
InChIKeyYIBYRCJZTJTPKY-UHFFFAOYSA-N
MW325.43 g/mol
LogP1.66
Rot. Bonds4

About N-(2-hydroxy-2-methylpropyl)-4-(2-methylpiperidine-1-carbonyl)-1,3-thiazole-2-carboxamide

N-(2-hydroxy-2-methylpropyl)-4-(2-methylpiperidine-1-carbonyl)-1,3-thiazole-2-carboxamide (PubChem CID 121303272) has the molecular formula C15H23N3O3S and a molecular weight of 325.43 g/mol. Its IUPAC name is N-(2-hydroxy-2-methylpropyl)-4-(2-methylpiperidine-1-carbonyl)-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methylpropyl)-4-(2-methylpiperidine-1-carbonyl)-1,3-thiazole-2-carboxamide
PubChem CID121303272
Molecular FormulaC15H23N3O3S
Molecular Weight325.43 g/mol
Exact Mass325.15
IUPAC NameN-(2-hydroxy-2-methylpropyl)-4-(2-methylpiperidine-1-carbonyl)-1,3-thiazole-2-carboxamide
SMILESCC1CCCCN1C(=O)c1csc(C(=O)NCC(C)(C)O)n1
InChIInChI=1S/C15H23N3O3S/c1-10-6-4-5-7-18(10)14(20)11-8-22-13(17-11)12(19)16-9-15(2,3)21/h8,10,21H,4-7,9H2,1-3H3,(H,16,19)
InChIKeyYIBYRCJZTJTPKY-UHFFFAOYSA-N
XLogP1.66
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methylpropyl)-4-(2-methylpiperidine-1-carbonyl)-1,3-thiazole-2-carboxamide?
The IUPAC name of N-(2-hydroxy-2-methylpropyl)-4-(2-methylpiperidine-1-carbonyl)-1,3-thiazole-2-carboxamide (CID 121303272) is N-(2-hydroxy-2-methylpropyl)-4-(2-methylpiperidine-1-carbonyl)-1,3-thiazole-2-carboxamide.
What is the SMILES notation for N-(2-hydroxy-2-methylpropyl)-4-(2-methylpiperidine-1-carbonyl)-1,3-thiazole-2-carboxamide?
The canonical SMILES for N-(2-hydroxy-2-methylpropyl)-4-(2-methylpiperidine-1-carbonyl)-1,3-thiazole-2-carboxamide is CC1CCCCN1C(=O)c1csc(C(=O)NCC(C)(C)O)n1.
What is the InChIKey of N-(2-hydroxy-2-methylpropyl)-4-(2-methylpiperidine-1-carbonyl)-1,3-thiazole-2-carboxamide?
The InChIKey is YIBYRCJZTJTPKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3S/c1-10-6-4-5-7-18(10)14(20)11-8-22-13(17-11)12(19)16-9-15(2,3)21/h8,10,21H,4-7,9H2,1-3H3,(H,16,19).
What are the key properties of N-(2-hydroxy-2-methylpropyl)-4-(2-methylpiperidine-1-carbonyl)-1,3-thiazole-2-carboxamide?
N-(2-hydroxy-2-methylpropyl)-4-(2-methylpiperidine-1-carbonyl)-1,3-thiazole-2-carboxamide has a molecular weight of 325.43 g/mol, XLogP of 1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methylpropyl)-4-(2-methylpiperidine-1-carbonyl)-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 121303272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).