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

C14H21N3O2S — CID 96999732

IUPAC(2R)-2-cyclobutyl-N-[4-(methoxymethyl)-1,3-thiazol-2-yl]pyrrolidine-1-carboxamide
SMILESCOCc1csc(NC(=O)N2CCC[C@@H]2C2CCC2)n1
InChIInChI=1S/C14H21N3O2S/c1-19-8-11-9-20-13(15-11)16-14(18)17-7-3-6-12(17)10-4-2-5-10/h9-10,12H,2-8H2,1H3,(H,15,16,18)/t12-/m1/s1
InChIKeyCXQCYLQAGCYWAO-GFCCVEGCSA-N
MW295.41 g/mol
LogP3.09
Rot. Bonds4

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

(2R)-2-cyclobutyl-N-[4-(methoxymethyl)-1,3-thiazol-2-yl]pyrrolidine-1-carboxamide (PubChem CID 96999732) has the molecular formula C14H21N3O2S and a molecular weight of 295.41 g/mol. Its IUPAC name is (2R)-2-cyclobutyl-N-[4-(methoxymethyl)-1,3-thiazol-2-yl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-2-cyclobutyl-N-[4-(methoxymethyl)-1,3-thiazol-2-yl]pyrrolidine-1-carboxamide
PubChem CID96999732
Molecular FormulaC14H21N3O2S
Molecular Weight295.41 g/mol
Exact Mass295.14
IUPAC Name(2R)-2-cyclobutyl-N-[4-(methoxymethyl)-1,3-thiazol-2-yl]pyrrolidine-1-carboxamide
SMILESCOCc1csc(NC(=O)N2CCC[C@@H]2C2CCC2)n1
InChIInChI=1S/C14H21N3O2S/c1-19-8-11-9-20-13(15-11)16-14(18)17-7-3-6-12(17)10-4-2-5-10/h9-10,12H,2-8H2,1H3,(H,15,16,18)/t12-/m1/s1
InChIKeyCXQCYLQAGCYWAO-GFCCVEGCSA-N
XLogP3.09
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3R)-N-[4-(methoxymethyl)-1,3-thiazol-2-yl]-3-methyl-2-phenylazetidine-1-carboxamide
CID 99715252
[4-(methoxymethyl)-1,3-thiazol-2-yl]carbamic acid
CID 87285914
N-[4-(methoxymethyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide
CID 119301038
N-[4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)-1,3-thiazol-2-yl]acetamide
CID 51226338
3-(methanesulfonamidomethyl)-N-[4-(methoxymethyl)-1,3-thiazol-2-yl]morpholine-4-carboxamide
CID 131963807
1-[4-(methoxymethyl)-1,3-thiazol-2-yl]-3-(8-tricyclo[5.2.1.02,6]decanyl)urea
CID 102558480
(3R)-N-[4-(methoxymethyl)-1,3-thiazol-2-yl]-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide
CID 97009956
(5aS,9aR)-N-(1,3-thiazol-2-yl)-2,3,4,5,5a,6,7,8,9,9a-decahydrobenzo[b]azepine-1-carboxamide
CID 97255258
N-[4-(methoxymethyl)-1,3-thiazol-2-yl]-2-(methylamino)acetamide;hydrochloride
CID 119744727
(2R)-2-cyclopentyl-N-[(2S)-1-methoxypropan-2-yl]pyrrolidine-1-carboxamide
CID 96559192
(4aS,7aS)-N-(6-methoxypyrimidin-4-yl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carboxamide
CID 97350302
methyl 4-[[(2R)-2-cyclobutylpyrrolidine-1-carbonyl]amino]-1-methylpyrrole-2-carboxylate
CID 99848863

Frequently Asked Questions

What is the IUPAC name of (2R)-2-cyclobutyl-N-[4-(methoxymethyl)-1,3-thiazol-2-yl]pyrrolidine-1-carboxamide?
The IUPAC name of (2R)-2-cyclobutyl-N-[4-(methoxymethyl)-1,3-thiazol-2-yl]pyrrolidine-1-carboxamide (CID 96999732) is (2R)-2-cyclobutyl-N-[4-(methoxymethyl)-1,3-thiazol-2-yl]pyrrolidine-1-carboxamide.
What is the SMILES notation for (2R)-2-cyclobutyl-N-[4-(methoxymethyl)-1,3-thiazol-2-yl]pyrrolidine-1-carboxamide?
The canonical SMILES for (2R)-2-cyclobutyl-N-[4-(methoxymethyl)-1,3-thiazol-2-yl]pyrrolidine-1-carboxamide is COCc1csc(NC(=O)N2CCC[C@@H]2C2CCC2)n1.
What is the InChIKey of (2R)-2-cyclobutyl-N-[4-(methoxymethyl)-1,3-thiazol-2-yl]pyrrolidine-1-carboxamide?
The InChIKey is CXQCYLQAGCYWAO-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H21N3O2S/c1-19-8-11-9-20-13(15-11)16-14(18)17-7-3-6-12(17)10-4-2-5-10/h9-10,12H,2-8H2,1H3,(H,15,16,18)/t12-/m1/s1.
What are the key properties of (2R)-2-cyclobutyl-N-[4-(methoxymethyl)-1,3-thiazol-2-yl]pyrrolidine-1-carboxamide?
(2R)-2-cyclobutyl-N-[4-(methoxymethyl)-1,3-thiazol-2-yl]pyrrolidine-1-carboxamide has a molecular weight of 295.41 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-cyclobutyl-N-[4-(methoxymethyl)-1,3-thiazol-2-yl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 96999732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).