N-[(3R,4R)-3-hydroxypiperidin-4-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide

C11H17N3O2S — CID 70732334

IUPACN-[(3R,4R)-3-hydroxypiperidin-4-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)N[C@@H]2CCNC[C@H]2O)s1
InChIInChI=1S/C11H17N3O2S/c1-6-10(17-7(2)13-6)11(16)14-8-3-4-12-5-9(8)15/h8-9,12,15H,3-5H2,1-2H3,(H,14,16)/t8-,9-/m1/s1
InChIKeyDVTJRCMAVBADCC-RKDXNWHRSA-N
MW255.34 g/mol
LogP0.21
Rot. Bonds2

About N-[(3R,4R)-3-hydroxypiperidin-4-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide

N-[(3R,4R)-3-hydroxypiperidin-4-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide (PubChem CID 70732334) has the molecular formula C11H17N3O2S and a molecular weight of 255.34 g/mol. Its IUPAC name is N-[(3R,4R)-3-hydroxypiperidin-4-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(3R,4R)-3-hydroxypiperidin-4-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
PubChem CID70732334
Molecular FormulaC11H17N3O2S
Molecular Weight255.34 g/mol
Exact Mass255.10
IUPAC NameN-[(3R,4R)-3-hydroxypiperidin-4-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)N[C@@H]2CCNC[C@H]2O)s1
InChIInChI=1S/C11H17N3O2S/c1-6-10(17-7(2)13-6)11(16)14-8-3-4-12-5-9(8)15/h8-9,12,15H,3-5H2,1-2H3,(H,14,16)/t8-,9-/m1/s1
InChIKeyDVTJRCMAVBADCC-RKDXNWHRSA-N
XLogP0.21
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 50.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-3-hydroxypiperidin-4-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[(3R,4R)-3-hydroxypiperidin-4-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide (CID 70732334) is N-[(3R,4R)-3-hydroxypiperidin-4-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[(3R,4R)-3-hydroxypiperidin-4-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[(3R,4R)-3-hydroxypiperidin-4-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide is Cc1nc(C)c(C(=O)N[C@@H]2CCNC[C@H]2O)s1.
What is the InChIKey of N-[(3R,4R)-3-hydroxypiperidin-4-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The InChIKey is DVTJRCMAVBADCC-RKDXNWHRSA-N. The full InChI is InChI=1S/C11H17N3O2S/c1-6-10(17-7(2)13-6)11(16)14-8-3-4-12-5-9(8)15/h8-9,12,15H,3-5H2,1-2H3,(H,14,16)/t8-,9-/m1/s1.
What are the key properties of N-[(3R,4R)-3-hydroxypiperidin-4-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide?
N-[(3R,4R)-3-hydroxypiperidin-4-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide has a molecular weight of 255.34 g/mol, XLogP of 0.21, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-3-hydroxypiperidin-4-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 70732334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).