N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-1,3-thiazole-4-carboxamide

C10H15N3OS — CID 104971777

IUPACN-[2-[(2R)-pyrrolidin-2-yl]ethyl]-1,3-thiazole-4-carboxamide
SMILESO=C(NCC[C@H]1CCCN1)c1cscn1
InChIInChI=1S/C10H15N3OS/c14-10(9-6-15-7-13-9)12-5-3-8-2-1-4-11-8/h6-8,11H,1-5H2,(H,12,14)/t8-/m1/s1
InChIKeyYDKZCGGOGWYLRB-MRVPVSSYSA-N
MW225.32 g/mol
LogP1.01
Rot. Bonds4

About N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-1,3-thiazole-4-carboxamide

N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-1,3-thiazole-4-carboxamide (PubChem CID 104971777) has the molecular formula C10H15N3OS and a molecular weight of 225.32 g/mol. Its IUPAC name is N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-[(2R)-pyrrolidin-2-yl]ethyl]-1,3-thiazole-4-carboxamide
PubChem CID104971777
Molecular FormulaC10H15N3OS
Molecular Weight225.32 g/mol
Exact Mass225.09
IUPAC NameN-[2-[(2R)-pyrrolidin-2-yl]ethyl]-1,3-thiazole-4-carboxamide
SMILESO=C(NCC[C@H]1CCCN1)c1cscn1
InChIInChI=1S/C10H15N3OS/c14-10(9-6-15-7-13-9)12-5-3-8-2-1-4-11-8/h6-8,11H,1-5H2,(H,12,14)/t8-/m1/s1
InChIKeyYDKZCGGOGWYLRB-MRVPVSSYSA-N
XLogP1.01
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.32
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(2S)-pyrrolidin-2-yl]ethyl]pyridine-2-carboxamide
CID 104955318
5-methyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]pyrazine-2-carboxamide
CID 104955274
N-[2-[(2R)-pyrrolidin-2-yl]ethyl]thiophene-3-carboxamide
CID 104971690
4-methyl-N-(2-pyrrolidin-2-ylethyl)-1,3-thiazole-5-carboxamide
CID 114793983
2-pyrrolidin-2-yl-N-(1,3-thiazol-4-ylmethyl)acetamide
CID 63824820
5-bromo-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]thiophene-3-carboxamide
CID 105057853
N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-1H-imidazole-5-carboxamide
CID 104972137
6-methyl-4-oxo-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-1H-pyridine-3-carboxamide
CID 104955353
2,6-difluoro-N-(2-pyrrolidin-2-ylethyl)benzamide
CID 114793746
4-chloro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-1H-pyrrole-2-carboxamide
CID 104971798
2,4-dihydroxy-N-(2-pyrrolidin-2-ylethyl)benzamide
CID 114793797
5-bromo-4-methyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]thiophene-2-carboxamide
CID 104955216

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-1,3-thiazole-4-carboxamide (CID 104971777) is N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-1,3-thiazole-4-carboxamide is O=C(NCC[C@H]1CCCN1)c1cscn1.
What is the InChIKey of N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-1,3-thiazole-4-carboxamide?
The InChIKey is YDKZCGGOGWYLRB-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H15N3OS/c14-10(9-6-15-7-13-9)12-5-3-8-2-1-4-11-8/h6-8,11H,1-5H2,(H,12,14)/t8-/m1/s1.
What are the key properties of N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-1,3-thiazole-4-carboxamide?
N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-1,3-thiazole-4-carboxamide has a molecular weight of 225.32 g/mol, XLogP of 1.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 104971777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).