2-[(3R,4R)-3-(hydroxymethyl)-4-(piperidin-1-ylmethyl)pyrrolidin-1-yl]-1,3-thiazole-4-carboxamide

C15H24N4O2S — CID 70763911

IUPAC2-[(3R,4R)-3-(hydroxymethyl)-4-(piperidin-1-ylmethyl)pyrrolidin-1-yl]-1,3-thiazole-4-carboxamide
SMILESNC(=O)c1csc(N2C[C@@H](CN3CCCCC3)[C@@H](CO)C2)n1
InChIInChI=1S/C15H24N4O2S/c16-14(21)13-10-22-15(17-13)19-7-11(12(8-19)9-20)6-18-4-2-1-3-5-18/h10-12,20H,1-9H2,(H2,16,21)/t11-,12-/m1/s1
InChIKeyFWXBWEDUDMIZCV-VXGBXAGGSA-N
MW324.45 g/mol
LogP0.77
Rot. Bonds5

About 2-[(3R,4R)-3-(hydroxymethyl)-4-(piperidin-1-ylmethyl)pyrrolidin-1-yl]-1,3-thiazole-4-carboxamide

2-[(3R,4R)-3-(hydroxymethyl)-4-(piperidin-1-ylmethyl)pyrrolidin-1-yl]-1,3-thiazole-4-carboxamide (PubChem CID 70763911) has the molecular formula C15H24N4O2S and a molecular weight of 324.45 g/mol. Its IUPAC name is 2-[(3R,4R)-3-(hydroxymethyl)-4-(piperidin-1-ylmethyl)pyrrolidin-1-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[(3R,4R)-3-(hydroxymethyl)-4-(piperidin-1-ylmethyl)pyrrolidin-1-yl]-1,3-thiazole-4-carboxamide
PubChem CID70763911
Molecular FormulaC15H24N4O2S
Molecular Weight324.45 g/mol
Exact Mass324.16
IUPAC Name2-[(3R,4R)-3-(hydroxymethyl)-4-(piperidin-1-ylmethyl)pyrrolidin-1-yl]-1,3-thiazole-4-carboxamide
SMILESNC(=O)c1csc(N2C[C@@H](CN3CCCCC3)[C@@H](CO)C2)n1
InChIInChI=1S/C15H24N4O2S/c16-14(21)13-10-22-15(17-13)19-7-11(12(8-19)9-20)6-18-4-2-1-3-5-18/h10-12,20H,1-9H2,(H2,16,21)/t11-,12-/m1/s1
InChIKeyFWXBWEDUDMIZCV-VXGBXAGGSA-N
XLogP0.77
TPSA82.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R,4R)-3-(hydroxymethyl)-4-(piperidin-1-ylmethyl)pyrrolidin-1-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[(3R,4R)-3-(hydroxymethyl)-4-(piperidin-1-ylmethyl)pyrrolidin-1-yl]-1,3-thiazole-4-carboxamide (CID 70763911) is 2-[(3R,4R)-3-(hydroxymethyl)-4-(piperidin-1-ylmethyl)pyrrolidin-1-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[(3R,4R)-3-(hydroxymethyl)-4-(piperidin-1-ylmethyl)pyrrolidin-1-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[(3R,4R)-3-(hydroxymethyl)-4-(piperidin-1-ylmethyl)pyrrolidin-1-yl]-1,3-thiazole-4-carboxamide is NC(=O)c1csc(N2C[C@@H](CN3CCCCC3)[C@@H](CO)C2)n1.
What is the InChIKey of 2-[(3R,4R)-3-(hydroxymethyl)-4-(piperidin-1-ylmethyl)pyrrolidin-1-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is FWXBWEDUDMIZCV-VXGBXAGGSA-N. The full InChI is InChI=1S/C15H24N4O2S/c16-14(21)13-10-22-15(17-13)19-7-11(12(8-19)9-20)6-18-4-2-1-3-5-18/h10-12,20H,1-9H2,(H2,16,21)/t11-,12-/m1/s1.
What are the key properties of 2-[(3R,4R)-3-(hydroxymethyl)-4-(piperidin-1-ylmethyl)pyrrolidin-1-yl]-1,3-thiazole-4-carboxamide?
2-[(3R,4R)-3-(hydroxymethyl)-4-(piperidin-1-ylmethyl)pyrrolidin-1-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 324.45 g/mol, XLogP of 0.77, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R,4R)-3-(hydroxymethyl)-4-(piperidin-1-ylmethyl)pyrrolidin-1-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 70763911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).