N-[[(3S,4S)-3-hydroxypiperidin-4-yl]methyl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide

C14H23N3O2S — CID 56883261

IUPACN-[[(3S,4S)-3-hydroxypiperidin-4-yl]methyl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(C(C)C)sc1C(=O)NC[C@@H]1CCNC[C@H]1O
InChIInChI=1S/C14H23N3O2S/c1-8(2)14-17-9(3)12(20-14)13(19)16-6-10-4-5-15-7-11(10)18/h8,10-11,15,18H,4-7H2,1-3H3,(H,16,19)/t10-,11+/m0/s1
InChIKeyJAPGCOAPIMVWCV-WDEREUQCSA-N
MW297.42 g/mol
LogP1.28
Rot. Bonds4

About N-[[(3S,4S)-3-hydroxypiperidin-4-yl]methyl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide

N-[[(3S,4S)-3-hydroxypiperidin-4-yl]methyl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide (PubChem CID 56883261) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is N-[[(3S,4S)-3-hydroxypiperidin-4-yl]methyl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[[(3S,4S)-3-hydroxypiperidin-4-yl]methyl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
PubChem CID56883261
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC NameN-[[(3S,4S)-3-hydroxypiperidin-4-yl]methyl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(C(C)C)sc1C(=O)NC[C@@H]1CCNC[C@H]1O
InChIInChI=1S/C14H23N3O2S/c1-8(2)14-17-9(3)12(20-14)13(19)16-6-10-4-5-15-7-11(10)18/h8,10-11,15,18H,4-7H2,1-3H3,(H,16,19)/t10-,11+/m0/s1
InChIKeyJAPGCOAPIMVWCV-WDEREUQCSA-N
XLogP1.28
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[(3S,4S)-3-hydroxypiperidin-4-yl]methyl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[[(3S,4S)-3-hydroxypiperidin-4-yl]methyl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide (CID 56883261) is N-[[(3S,4S)-3-hydroxypiperidin-4-yl]methyl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[[(3S,4S)-3-hydroxypiperidin-4-yl]methyl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[[(3S,4S)-3-hydroxypiperidin-4-yl]methyl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide is Cc1nc(C(C)C)sc1C(=O)NC[C@@H]1CCNC[C@H]1O.
What is the InChIKey of N-[[(3S,4S)-3-hydroxypiperidin-4-yl]methyl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide?
The InChIKey is JAPGCOAPIMVWCV-WDEREUQCSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-8(2)14-17-9(3)12(20-14)13(19)16-6-10-4-5-15-7-11(10)18/h8,10-11,15,18H,4-7H2,1-3H3,(H,16,19)/t10-,11+/m0/s1.
What are the key properties of N-[[(3S,4S)-3-hydroxypiperidin-4-yl]methyl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide?
N-[[(3S,4S)-3-hydroxypiperidin-4-yl]methyl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide has a molecular weight of 297.42 g/mol, XLogP of 1.28, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S,4S)-3-hydroxypiperidin-4-yl]methyl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 56883261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).