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

C12H19N3OS — CID 119879072

IUPACN-[1-(4-methyl-1,3-thiazol-2-yl)propyl]pyrrolidine-3-carboxamide
SMILESCCC(NC(=O)C1CCNC1)c1nc(C)cs1
InChIInChI=1S/C12H19N3OS/c1-3-10(12-14-8(2)7-17-12)15-11(16)9-4-5-13-6-9/h7,9-10,13H,3-6H2,1-2H3,(H,15,16)
InChIKeyQLFPVHBUTJZAFO-UHFFFAOYSA-N
MW253.37 g/mol
LogP1.63
Rot. Bonds4

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

N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]pyrrolidine-3-carboxamide (PubChem CID 119879072) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(4-methyl-1,3-thiazol-2-yl)propyl]pyrrolidine-3-carboxamide
PubChem CID119879072
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC NameN-[1-(4-methyl-1,3-thiazol-2-yl)propyl]pyrrolidine-3-carboxamide
SMILESCCC(NC(=O)C1CCNC1)c1nc(C)cs1
InChIInChI=1S/C12H19N3OS/c1-3-10(12-14-8(2)7-17-12)15-11(16)9-4-5-13-6-9/h7,9-10,13H,3-6H2,1-2H3,(H,15,16)
InChIKeyQLFPVHBUTJZAFO-UHFFFAOYSA-N
XLogP1.63
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 ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]acetamide;dihydrochloride
CID 119879043
1-amino-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]cyclopropane-1-carboxamide;dihydrochloride
CID 119878993
cis-(1S,3R)-2,2-dimethyl-3-[1-(4-methyl-1,3-thiazol-2-yl)propylcarbamoyl]cyclopropane-1-carboxylic acid
CID 122065524
N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-3-carboxamide
CID 119886508
5-amino-2-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]benzamide;dihydrochloride
CID 120646354
(1S)-2,2-dichloro-1-methyl-N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)propyl]cyclopropane-1-carboxamide
CID 95334068
N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;dihydrochloride
CID 120941226
1-[(1-hydroxycyclopentyl)methyl]-3-[1-(4-methyl-1,3-thiazol-2-yl)propyl]urea
CID 111104417
(3S)-N-(1-thiophen-2-ylpropyl)piperidine-3-carboxamide
CID 81139457
(3S)-N-butan-2-ylpyrrolidine-3-carboxamide;hydrochloride
CID 130617096
4-(methylamino)-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]butanamide;dihydrochloride
CID 119879007
ethyl 4-[[(1S)-1-(4-methyl-1,3-thiazol-2-yl)propyl]amino]piperidine-1-carboxylate
CID 97056254

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]pyrrolidine-3-carboxamide?
The IUPAC name of N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]pyrrolidine-3-carboxamide (CID 119879072) is N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]pyrrolidine-3-carboxamide?
The canonical SMILES for N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]pyrrolidine-3-carboxamide is CCC(NC(=O)C1CCNC1)c1nc(C)cs1.
What is the InChIKey of N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]pyrrolidine-3-carboxamide?
The InChIKey is QLFPVHBUTJZAFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c1-3-10(12-14-8(2)7-17-12)15-11(16)9-4-5-13-6-9/h7,9-10,13H,3-6H2,1-2H3,(H,15,16).
What are the key properties of N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]pyrrolidine-3-carboxamide?
N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]pyrrolidine-3-carboxamide has a molecular weight of 253.37 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 119879072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).