N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-3-carboxamide

C12H19N3OS — CID 119886508

IUPACN-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-3-carboxamide
SMILESCCc1nc(C(C)NC(=O)C2CCNC2)cs1
InChIInChI=1S/C12H19N3OS/c1-3-11-15-10(7-17-11)8(2)14-12(16)9-4-5-13-6-9/h7-9,13H,3-6H2,1-2H3,(H,14,16)
InChIKeyRPCANYUWPXKLTN-UHFFFAOYSA-N
MW253.37 g/mol
LogP1.49
Rot. Bonds4

About N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-3-carboxamide

N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-3-carboxamide (PubChem CID 119886508) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-3-carboxamide
PubChem CID119886508
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC NameN-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-3-carboxamide
SMILESCCc1nc(C(C)NC(=O)C2CCNC2)cs1
InChIInChI=1S/C12H19N3OS/c1-3-11-15-10(7-17-11)8(2)14-12(16)9-4-5-13-6-9/h7-9,13H,3-6H2,1-2H3,(H,14,16)
InChIKeyRPCANYUWPXKLTN-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-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]morpholine-2-carboxamide;dihydrochloride
CID 119886495
N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]pyrrolidine-3-carboxamide;dihydrochloride
CID 119897431
N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-piperidin-4-ylbutanamide;dihydrochloride
CID 119886487
2-cyclopentyl-N-[(1R)-1-(2-ethyl-1,3-thiazol-4-yl)ethyl]acetamide
CID 95620387
3-amino-N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]butanamide;dihydrochloride
CID 119886493
N-(1-thiophen-2-ylethyl)pyrrolidine-3-carboxamide
CID 63006092
N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]pyrrolidine-3-carboxamide
CID 119879072
N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]pyrrolidine-3-carboxamide;dihydrochloride
CID 119878911
N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-2-thiomorpholin-3-ylacetamide
CID 119942195
1-amino-N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119886464
1-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-(3-hydroxypropyl)urea
CID 111117313
1-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-[(1-hydroxycyclobutyl)methyl]urea
CID 111438791

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-3-carboxamide?
The IUPAC name of N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-3-carboxamide (CID 119886508) is N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-3-carboxamide?
The canonical SMILES for N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-3-carboxamide is CCc1nc(C(C)NC(=O)C2CCNC2)cs1.
What is the InChIKey of N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-3-carboxamide?
The InChIKey is RPCANYUWPXKLTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c1-3-11-15-10(7-17-11)8(2)14-12(16)9-4-5-13-6-9/h7-9,13H,3-6H2,1-2H3,(H,14,16).
What are the key properties of N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-3-carboxamide?
N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]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-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 119886508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).