2-acetamido-N-(2-pyrrolidin-1-ylbutyl)-1,3-thiazole-4-carboxamide

C14H22N4O2S — CID 71896196

IUPAC2-acetamido-N-(2-pyrrolidin-1-ylbutyl)-1,3-thiazole-4-carboxamide
SMILESCCC(CNC(=O)c1csc(NC(C)=O)n1)N1CCCC1
InChIInChI=1S/C14H22N4O2S/c1-3-11(18-6-4-5-7-18)8-15-13(20)12-9-21-14(17-12)16-10(2)19/h9,11H,3-8H2,1-2H3,(H,15,20)(H,16,17,19)
InChIKeyDVCINQUMHQOAES-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.71
Rot. Bonds6

About 2-acetamido-N-(2-pyrrolidin-1-ylbutyl)-1,3-thiazole-4-carboxamide

2-acetamido-N-(2-pyrrolidin-1-ylbutyl)-1,3-thiazole-4-carboxamide (PubChem CID 71896196) has the molecular formula C14H22N4O2S and a molecular weight of 310.42 g/mol. Its IUPAC name is 2-acetamido-N-(2-pyrrolidin-1-ylbutyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-acetamido-N-(2-pyrrolidin-1-ylbutyl)-1,3-thiazole-4-carboxamide
PubChem CID71896196
Molecular FormulaC14H22N4O2S
Molecular Weight310.42 g/mol
Exact Mass310.15
IUPAC Name2-acetamido-N-(2-pyrrolidin-1-ylbutyl)-1,3-thiazole-4-carboxamide
SMILESCCC(CNC(=O)c1csc(NC(C)=O)n1)N1CCCC1
InChIInChI=1S/C14H22N4O2S/c1-3-11(18-6-4-5-7-18)8-15-13(20)12-9-21-14(17-12)16-10(2)19/h9,11H,3-8H2,1-2H3,(H,15,20)(H,16,17,19)
InChIKeyDVCINQUMHQOAES-UHFFFAOYSA-N
XLogP1.71
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-acetamido-N-[(2R)-3-methyl-2-pyrrolidin-1-ylbutyl]-1,3-thiazole-4-carboxamide
CID 95158420
2-(3,4-dimethoxyphenyl)-N-(2-pyrrolidin-1-ylbutyl)-1,3-thiazole-4-carboxamide
CID 43064912
2-acetamido-N-[(2R)-2-(2,3-dihydroindol-1-yl)propyl]-1,3-thiazole-4-carboxamide
CID 38304559
5-[(2-acetamido-1,3-thiazole-4-carbonyl)amino]-4-methylpentanoic acid
CID 82009749
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-acetamido-N-(2-aminoethyl)-1,3-thiazole-4-carboxamide
CID 39162467
1-[(2S)-2-pyrrolidin-1-ylbutyl]-3-(1,3-thiazol-2-yl)urea
CID 95131197
1-[[(2-acetamido-1,3-thiazole-4-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 115445121
2-acetamido-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 39038795
2-[(2-acetamido-1,3-thiazole-4-carbonyl)amino]-4-hydroxybutanoic acid
CID 61243283
2-acetamido-N-[2-(2-hydroxyethoxy)ethyl]-1,3-thiazole-4-carboxamide
CID 55024347

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-(2-pyrrolidin-1-ylbutyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-acetamido-N-(2-pyrrolidin-1-ylbutyl)-1,3-thiazole-4-carboxamide (CID 71896196) is 2-acetamido-N-(2-pyrrolidin-1-ylbutyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-acetamido-N-(2-pyrrolidin-1-ylbutyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-acetamido-N-(2-pyrrolidin-1-ylbutyl)-1,3-thiazole-4-carboxamide is CCC(CNC(=O)c1csc(NC(C)=O)n1)N1CCCC1.
What is the InChIKey of 2-acetamido-N-(2-pyrrolidin-1-ylbutyl)-1,3-thiazole-4-carboxamide?
The InChIKey is DVCINQUMHQOAES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2S/c1-3-11(18-6-4-5-7-18)8-15-13(20)12-9-21-14(17-12)16-10(2)19/h9,11H,3-8H2,1-2H3,(H,15,20)(H,16,17,19).
What are the key properties of 2-acetamido-N-(2-pyrrolidin-1-ylbutyl)-1,3-thiazole-4-carboxamide?
2-acetamido-N-(2-pyrrolidin-1-ylbutyl)-1,3-thiazole-4-carboxamide has a molecular weight of 310.42 g/mol, XLogP of 1.71, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-(2-pyrrolidin-1-ylbutyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 71896196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).