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

C10H15N3O2S — CID 119301038

IUPACN-[4-(methoxymethyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide
SMILESCOCc1csc(NC(=O)C2CCCN2)n1
InChIInChI=1S/C10H15N3O2S/c1-15-5-7-6-16-10(12-7)13-9(14)8-3-2-4-11-8/h6,8,11H,2-5H2,1H3,(H,12,13,14)
InChIKeyIJNYKBVHSFPDJK-UHFFFAOYSA-N
MW241.32 g/mol
LogP0.98
Rot. Bonds4

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

N-[4-(methoxymethyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide (PubChem CID 119301038) has the molecular formula C10H15N3O2S and a molecular weight of 241.32 g/mol. Its IUPAC name is N-[4-(methoxymethyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(methoxymethyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide
PubChem CID119301038
Molecular FormulaC10H15N3O2S
Molecular Weight241.32 g/mol
Exact Mass241.09
IUPAC NameN-[4-(methoxymethyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide
SMILESCOCc1csc(NC(=O)C2CCCN2)n1
InChIInChI=1S/C10H15N3O2S/c1-15-5-7-6-16-10(12-7)13-9(14)8-3-2-4-11-8/h6,8,11H,2-5H2,1H3,(H,12,13,14)
InChIKeyIJNYKBVHSFPDJK-UHFFFAOYSA-N
XLogP0.98
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 18072813
(2S)-N-(4-propan-2-yl-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 61482477
(2R)-N-(4-cyclopropyl-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 103795480
[4-(methoxymethyl)-1,3-thiazol-2-yl]carbamic acid
CID 87285914
(2S)-N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]pyrrolidine-2-carboxamide
CID 119900133
(2R)-2-cyclobutyl-N-[4-(methoxymethyl)-1,3-thiazol-2-yl]pyrrolidine-1-carboxamide
CID 96999732
N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide;hydrochloride
CID 119282737
N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]piperidine-2-carboxamide
CID 119282683
N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]piperidine-2-carboxamide
CID 119271224
N-[4-(methoxymethyl)-1,3-thiazol-2-yl]-2-(methylamino)acetamide;hydrochloride
CID 119744727
1-[4-(methoxymethyl)-1,3-thiazol-2-yl]-3-(8-tricyclo[5.2.1.02,6]decanyl)urea
CID 102558480
N-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-2-carboxamide
CID 61285801

Frequently Asked Questions

What is the IUPAC name of N-[4-(methoxymethyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide?
The IUPAC name of N-[4-(methoxymethyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide (CID 119301038) is N-[4-(methoxymethyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[4-(methoxymethyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-[4-(methoxymethyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide is COCc1csc(NC(=O)C2CCCN2)n1.
What is the InChIKey of N-[4-(methoxymethyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide?
The InChIKey is IJNYKBVHSFPDJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2S/c1-15-5-7-6-16-10(12-7)13-9(14)8-3-2-4-11-8/h6,8,11H,2-5H2,1H3,(H,12,13,14).
What are the key properties of N-[4-(methoxymethyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide?
N-[4-(methoxymethyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide has a molecular weight of 241.32 g/mol, XLogP of 0.98, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(methoxymethyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 119301038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).