N-[(3S,4R)-4-propan-2-yl-1-(2-propan-2-yl-1,3-thiazole-4-carbonyl)pyrrolidin-3-yl]acetamide

C16H25N3O2S — CID 70786097

IUPACN-[(3S,4R)-4-propan-2-yl-1-(2-propan-2-yl-1,3-thiazole-4-carbonyl)pyrrolidin-3-yl]acetamide
SMILESCC(=O)N[C@@H]1CN(C(=O)c2csc(C(C)C)n2)C[C@H]1C(C)C
InChIInChI=1S/C16H25N3O2S/c1-9(2)12-6-19(7-13(12)17-11(5)20)16(21)14-8-22-15(18-14)10(3)4/h8-10,12-13H,6-7H2,1-5H3,(H,17,20)/t12-,13+/m0/s1
InChIKeyPZCRIARDZBWAAG-QWHCGFSZSA-N
MW323.46 g/mol
LogP2.50
Rot. Bonds4

About N-[(3S,4R)-4-propan-2-yl-1-(2-propan-2-yl-1,3-thiazole-4-carbonyl)pyrrolidin-3-yl]acetamide

N-[(3S,4R)-4-propan-2-yl-1-(2-propan-2-yl-1,3-thiazole-4-carbonyl)pyrrolidin-3-yl]acetamide (PubChem CID 70786097) has the molecular formula C16H25N3O2S and a molecular weight of 323.46 g/mol. Its IUPAC name is N-[(3S,4R)-4-propan-2-yl-1-(2-propan-2-yl-1,3-thiazole-4-carbonyl)pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3S,4R)-4-propan-2-yl-1-(2-propan-2-yl-1,3-thiazole-4-carbonyl)pyrrolidin-3-yl]acetamide
PubChem CID70786097
Molecular FormulaC16H25N3O2S
Molecular Weight323.46 g/mol
Exact Mass323.17
IUPAC NameN-[(3S,4R)-4-propan-2-yl-1-(2-propan-2-yl-1,3-thiazole-4-carbonyl)pyrrolidin-3-yl]acetamide
SMILESCC(=O)N[C@@H]1CN(C(=O)c2csc(C(C)C)n2)C[C@H]1C(C)C
InChIInChI=1S/C16H25N3O2S/c1-9(2)12-6-19(7-13(12)17-11(5)20)16(21)14-8-22-15(18-14)10(3)4/h8-10,12-13H,6-7H2,1-5H3,(H,17,20)/t12-,13+/m0/s1
InChIKeyPZCRIARDZBWAAG-QWHCGFSZSA-N
XLogP2.50
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.46
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-4-propan-2-yl-1-(2-propan-2-yl-1,3-thiazole-4-carbonyl)pyrrolidin-3-yl]acetamide?
The IUPAC name of N-[(3S,4R)-4-propan-2-yl-1-(2-propan-2-yl-1,3-thiazole-4-carbonyl)pyrrolidin-3-yl]acetamide (CID 70786097) is N-[(3S,4R)-4-propan-2-yl-1-(2-propan-2-yl-1,3-thiazole-4-carbonyl)pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[(3S,4R)-4-propan-2-yl-1-(2-propan-2-yl-1,3-thiazole-4-carbonyl)pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[(3S,4R)-4-propan-2-yl-1-(2-propan-2-yl-1,3-thiazole-4-carbonyl)pyrrolidin-3-yl]acetamide is CC(=O)N[C@@H]1CN(C(=O)c2csc(C(C)C)n2)C[C@H]1C(C)C.
What is the InChIKey of N-[(3S,4R)-4-propan-2-yl-1-(2-propan-2-yl-1,3-thiazole-4-carbonyl)pyrrolidin-3-yl]acetamide?
The InChIKey is PZCRIARDZBWAAG-QWHCGFSZSA-N. The full InChI is InChI=1S/C16H25N3O2S/c1-9(2)12-6-19(7-13(12)17-11(5)20)16(21)14-8-22-15(18-14)10(3)4/h8-10,12-13H,6-7H2,1-5H3,(H,17,20)/t12-,13+/m0/s1.
What are the key properties of N-[(3S,4R)-4-propan-2-yl-1-(2-propan-2-yl-1,3-thiazole-4-carbonyl)pyrrolidin-3-yl]acetamide?
N-[(3S,4R)-4-propan-2-yl-1-(2-propan-2-yl-1,3-thiazole-4-carbonyl)pyrrolidin-3-yl]acetamide has a molecular weight of 323.46 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-4-propan-2-yl-1-(2-propan-2-yl-1,3-thiazole-4-carbonyl)pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 70786097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).