N-(4-methyl-1,3-thiazol-2-yl)-3-propylpyrrolidine-3-carboxamide

C12H19N3OS — CID 63138339

IUPACN-(4-methyl-1,3-thiazol-2-yl)-3-propylpyrrolidine-3-carboxamide
SMILESCCCC1(C(=O)Nc2nc(C)cs2)CCNC1
InChIInChI=1S/C12H19N3OS/c1-3-4-12(5-6-13-8-12)10(16)15-11-14-9(2)7-17-11/h7,13H,3-6,8H2,1-2H3,(H,14,15,16)
InChIKeyUIKGFUSOXPIMTE-UHFFFAOYSA-N
MW253.37 g/mol
LogP2.17
Rot. Bonds4

About N-(4-methyl-1,3-thiazol-2-yl)-3-propylpyrrolidine-3-carboxamide

N-(4-methyl-1,3-thiazol-2-yl)-3-propylpyrrolidine-3-carboxamide (PubChem CID 63138339) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is N-(4-methyl-1,3-thiazol-2-yl)-3-propylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-methyl-1,3-thiazol-2-yl)-3-propylpyrrolidine-3-carboxamide
PubChem CID63138339
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC NameN-(4-methyl-1,3-thiazol-2-yl)-3-propylpyrrolidine-3-carboxamide
SMILESCCCC1(C(=O)Nc2nc(C)cs2)CCNC1
InChIInChI=1S/C12H19N3OS/c1-3-4-12(5-6-13-8-12)10(16)15-11-14-9(2)7-17-11/h7,13H,3-6,8H2,1-2H3,(H,14,15,16)
InChIKeyUIKGFUSOXPIMTE-UHFFFAOYSA-N
XLogP2.17
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 ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-propan-2-yl-1,3-thiazol-2-yl)-3-propylpyrrolidine-3-carboxamide
CID 63142538
N-(4-propan-2-yl-1,3-thiazol-2-yl)-4-propylpiperidine-4-carboxamide
CID 63129103
3-propyl-N-(2,4,5-trichlorophenyl)pyrrolidine-3-carboxamide
CID 63140733
N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-3-propylpiperidine-3-carboxamide
CID 63134965
N-(4-hydroxyphenyl)-3-propylpyrrolidine-3-carboxamide
CID 63139935
3-propyl-N-(1H-pyrazol-4-yl)pyrrolidine-3-carboxamide
CID 63138545
N-(4,5-dimethyl-1H-pyrazol-3-yl)-3-propylpyrrolidine-3-carboxamide
CID 113433645
N-(4-acetyl-1,3-thiazol-2-yl)-3-ethylpiperidine-3-carboxamide
CID 64556117
3-ethyl-N-(1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide
CID 63138876
4-methyl-N-(3-methylpyrrolidin-3-yl)-1,3-thiazol-2-amine
CID 107425466
N-(5-bromo-4-methyl-2-pyridinyl)-3-propylpyrrolidine-3-carboxamide
CID 79734821
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-propylpyrrolidine-3-carboxamide
CID 63141539

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-3-propylpyrrolidine-3-carboxamide?
The IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-3-propylpyrrolidine-3-carboxamide (CID 63138339) is N-(4-methyl-1,3-thiazol-2-yl)-3-propylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(4-methyl-1,3-thiazol-2-yl)-3-propylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(4-methyl-1,3-thiazol-2-yl)-3-propylpyrrolidine-3-carboxamide is CCCC1(C(=O)Nc2nc(C)cs2)CCNC1.
What is the InChIKey of N-(4-methyl-1,3-thiazol-2-yl)-3-propylpyrrolidine-3-carboxamide?
The InChIKey is UIKGFUSOXPIMTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c1-3-4-12(5-6-13-8-12)10(16)15-11-14-9(2)7-17-11/h7,13H,3-6,8H2,1-2H3,(H,14,15,16).
What are the key properties of N-(4-methyl-1,3-thiazol-2-yl)-3-propylpyrrolidine-3-carboxamide?
N-(4-methyl-1,3-thiazol-2-yl)-3-propylpyrrolidine-3-carboxamide has a molecular weight of 253.37 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-1,3-thiazol-2-yl)-3-propylpyrrolidine-3-carboxamide is sourced from PubChem (CID 63138339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).