N-[2-(1,3-thiazol-2-yl)butan-2-yl]pyrrolidine-3-carboxamide

C12H19N3OS — CID 119892445

IUPACN-[2-(1,3-thiazol-2-yl)butan-2-yl]pyrrolidine-3-carboxamide
SMILESCCC(C)(NC(=O)C1CCNC1)c1nccs1
InChIInChI=1S/C12H19N3OS/c1-3-12(2,11-14-6-7-17-11)15-10(16)9-4-5-13-8-9/h6-7,9,13H,3-5,8H2,1-2H3,(H,15,16)
InChIKeyRJKXVUJDDTUGHL-UHFFFAOYSA-N
MW253.37 g/mol
LogP1.49
Rot. Bonds4

About N-[2-(1,3-thiazol-2-yl)butan-2-yl]pyrrolidine-3-carboxamide

N-[2-(1,3-thiazol-2-yl)butan-2-yl]pyrrolidine-3-carboxamide (PubChem CID 119892445) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is N-[2-(1,3-thiazol-2-yl)butan-2-yl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(1,3-thiazol-2-yl)butan-2-yl]pyrrolidine-3-carboxamide
PubChem CID119892445
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC NameN-[2-(1,3-thiazol-2-yl)butan-2-yl]pyrrolidine-3-carboxamide
SMILESCCC(C)(NC(=O)C1CCNC1)c1nccs1
InChIInChI=1S/C12H19N3OS/c1-3-12(2,11-14-6-7-17-11)15-10(16)9-4-5-13-8-9/h6-7,9,13H,3-5,8H2,1-2H3,(H,15,16)
InChIKeyRJKXVUJDDTUGHL-UHFFFAOYSA-N
XLogP1.49
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1,3-thiazol-2-yl)butan-2-yl]morpholine-2-carboxamide
CID 119892435
N-[2-(1,3-thiazol-2-yl)propan-2-yl]piperidine-3-carboxamide
CID 110471917
(3R,4S)-4-(1-methylpyrazol-4-yl)-N-[2-(1,3-thiazol-2-yl)butan-2-yl]pyrrolidine-3-carboxamide;dihydrochloride
CID 120942262
3-piperidin-3-yl-N-[2-(1,3-thiazol-2-yl)butan-2-yl]butanamide;dihydrochloride
CID 119892416
1-piperidin-4-yl-N-[2-(1,3-thiazol-2-yl)butan-2-yl]triazole-4-carboxamide
CID 119892403
2-pyrrolidin-2-yl-N-[2-(1,3-thiazol-2-yl)butan-2-yl]acetamide;dihydrochloride
CID 119892436
(3S)-N-(1,3-thiazol-2-ylmethyl)pyrrolidine-3-carboxamide
CID 94916816
(3S)-N-(2-methylbutan-2-yl)pyrrolidine-3-carboxamide
CID 94915342
5-[2-(1,3-thiazol-2-yl)butan-2-ylcarbamoyl]pyrazine-2-carboxylic acid
CID 120685730
2-methyl-2-(pyrrolidine-3-carbonylamino)propanoic acid
CID 63005212
N-(1,1-diphenylethyl)pyrrolidine-3-carboxamide
CID 119774474
2-hydroxy-2-phenyl-N-[2-(1,3-thiazol-2-yl)butan-2-yl]acetamide
CID 111539967

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-thiazol-2-yl)butan-2-yl]pyrrolidine-3-carboxamide?
The IUPAC name of N-[2-(1,3-thiazol-2-yl)butan-2-yl]pyrrolidine-3-carboxamide (CID 119892445) is N-[2-(1,3-thiazol-2-yl)butan-2-yl]pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[2-(1,3-thiazol-2-yl)butan-2-yl]pyrrolidine-3-carboxamide?
The canonical SMILES for N-[2-(1,3-thiazol-2-yl)butan-2-yl]pyrrolidine-3-carboxamide is CCC(C)(NC(=O)C1CCNC1)c1nccs1.
What is the InChIKey of N-[2-(1,3-thiazol-2-yl)butan-2-yl]pyrrolidine-3-carboxamide?
The InChIKey is RJKXVUJDDTUGHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c1-3-12(2,11-14-6-7-17-11)15-10(16)9-4-5-13-8-9/h6-7,9,13H,3-5,8H2,1-2H3,(H,15,16).
What are the key properties of N-[2-(1,3-thiazol-2-yl)butan-2-yl]pyrrolidine-3-carboxamide?
N-[2-(1,3-thiazol-2-yl)butan-2-yl]pyrrolidine-3-carboxamide has a molecular weight of 253.37 g/mol, XLogP of 1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-thiazol-2-yl)butan-2-yl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 119892445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).