2-acetamido-N-[(2R)-3-methyl-2-pyrrolidin-1-ylbutyl]-1,3-thiazole-4-carboxamide

C15H24N4O2S — CID 95158420

IUPAC2-acetamido-N-[(2R)-3-methyl-2-pyrrolidin-1-ylbutyl]-1,3-thiazole-4-carboxamide
SMILESCC(=O)Nc1nc(C(=O)NC[C@@H](C(C)C)N2CCCC2)cs1
InChIInChI=1S/C15H24N4O2S/c1-10(2)13(19-6-4-5-7-19)8-16-14(21)12-9-22-15(18-12)17-11(3)20/h9-10,13H,4-8H2,1-3H3,(H,16,21)(H,17,18,20)/t13-/m0/s1
InChIKeyPHNLKOQYJSXLHP-ZDUSSCGKSA-N
MW324.45 g/mol
LogP1.95
Rot. Bonds6

About 2-acetamido-N-[(2R)-3-methyl-2-pyrrolidin-1-ylbutyl]-1,3-thiazole-4-carboxamide

2-acetamido-N-[(2R)-3-methyl-2-pyrrolidin-1-ylbutyl]-1,3-thiazole-4-carboxamide (PubChem CID 95158420) has the molecular formula C15H24N4O2S and a molecular weight of 324.45 g/mol. Its IUPAC name is 2-acetamido-N-[(2R)-3-methyl-2-pyrrolidin-1-ylbutyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-acetamido-N-[(2R)-3-methyl-2-pyrrolidin-1-ylbutyl]-1,3-thiazole-4-carboxamide
PubChem CID95158420
Molecular FormulaC15H24N4O2S
Molecular Weight324.45 g/mol
Exact Mass324.16
IUPAC Name2-acetamido-N-[(2R)-3-methyl-2-pyrrolidin-1-ylbutyl]-1,3-thiazole-4-carboxamide
SMILESCC(=O)Nc1nc(C(=O)NC[C@@H](C(C)C)N2CCCC2)cs1
InChIInChI=1S/C15H24N4O2S/c1-10(2)13(19-6-4-5-7-19)8-16-14(21)12-9-22-15(18-12)17-11(3)20/h9-10,13H,4-8H2,1-3H3,(H,16,21)(H,17,18,20)/t13-/m0/s1
InChIKeyPHNLKOQYJSXLHP-ZDUSSCGKSA-N
XLogP1.95
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-acetamido-N-(2-pyrrolidin-1-ylbutyl)-1,3-thiazole-4-carboxamide
CID 71896196
2-(1-aminoethyl)-N-(3-methyl-2-pyrrolidin-1-ylbutyl)-1,3-thiazole-4-carboxamide
CID 66388553
N-(3-methyl-2-pyrrolidin-1-ylbutyl)-1,3-thiazole-4-carboxamide
CID 63049087
5-[(2-acetamido-1,3-thiazole-4-carbonyl)amino]-4-methylpentanoic acid
CID 82009749
2-acetamido-N-[(2R)-2-(2,3-dihydroindol-1-yl)propyl]-1,3-thiazole-4-carboxamide
CID 38304559
2-acetamido-N-(2-aminoethyl)-1,3-thiazole-4-carboxamide
CID 39162467
2-acetamido-N-[2-(2-methylpiperidin-1-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 53499370
2-acetamido-N-(2-methylprop-2-enyl)-1,3-thiazole-4-carboxamide
CID 114618458
2-(2-aminoethyl)-N-(2-piperidin-1-ylpropyl)-1,3-thiazole-4-carboxamide
CID 66390454
1-[[(2-acetamido-1,3-thiazole-4-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 115445121
2-[(2-acetamido-1,3-thiazole-4-carbonyl)amino]propanoic acid
CID 43170831
N-(2-methylpropyl)-2-(pyrrolidine-1-carbonyl)-1,3-thiazole-4-carboxamide
CID 53158373

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-[(2R)-3-methyl-2-pyrrolidin-1-ylbutyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-acetamido-N-[(2R)-3-methyl-2-pyrrolidin-1-ylbutyl]-1,3-thiazole-4-carboxamide (CID 95158420) is 2-acetamido-N-[(2R)-3-methyl-2-pyrrolidin-1-ylbutyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-acetamido-N-[(2R)-3-methyl-2-pyrrolidin-1-ylbutyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-acetamido-N-[(2R)-3-methyl-2-pyrrolidin-1-ylbutyl]-1,3-thiazole-4-carboxamide is CC(=O)Nc1nc(C(=O)NC[C@@H](C(C)C)N2CCCC2)cs1.
What is the InChIKey of 2-acetamido-N-[(2R)-3-methyl-2-pyrrolidin-1-ylbutyl]-1,3-thiazole-4-carboxamide?
The InChIKey is PHNLKOQYJSXLHP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H24N4O2S/c1-10(2)13(19-6-4-5-7-19)8-16-14(21)12-9-22-15(18-12)17-11(3)20/h9-10,13H,4-8H2,1-3H3,(H,16,21)(H,17,18,20)/t13-/m0/s1.
What are the key properties of 2-acetamido-N-[(2R)-3-methyl-2-pyrrolidin-1-ylbutyl]-1,3-thiazole-4-carboxamide?
2-acetamido-N-[(2R)-3-methyl-2-pyrrolidin-1-ylbutyl]-1,3-thiazole-4-carboxamide has a molecular weight of 324.45 g/mol, XLogP of 1.95, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-[(2R)-3-methyl-2-pyrrolidin-1-ylbutyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 95158420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).