[3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone

C14H23N3O2S — CID 56894144

IUPAC[3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone
SMILESCCCc1nc(C(=O)N2CCC(O)(CN(C)C)C2)cs1
InChIInChI=1S/C14H23N3O2S/c1-4-5-12-15-11(8-20-12)13(18)17-7-6-14(19,10-17)9-16(2)3/h8,19H,4-7,9-10H2,1-3H3
InChIKeyOVZDPQFAUMJMRD-UHFFFAOYSA-N
MW297.42 g/mol
LogP1.23
Rot. Bonds5

About [3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone

[3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone (PubChem CID 56894144) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is [3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone
PubChem CID56894144
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC Name[3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone
SMILESCCCc1nc(C(=O)N2CCC(O)(CN(C)C)C2)cs1
InChIInChI=1S/C14H23N3O2S/c1-4-5-12-15-11(8-20-12)13(18)17-7-6-14(19,10-17)9-16(2)3/h8,19H,4-7,9-10H2,1-3H3
InChIKeyOVZDPQFAUMJMRD-UHFFFAOYSA-N
XLogP1.23
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-[(2-Isopropyl-1,3-thiazol-4-yl)carbonyl]-3-(1-methylbutyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70705036
4-[(2-Propyl-1,3-thiazol-4-yl)carbonyl]-6-(pyrrolidin-1-ylmethyl)-1,4-oxazepan-6-ol
CID 70754043
(3R*,4R*)-3-cyclobutyl-1-({2-[(dimethylamino)methyl]-1,3-thiazol-4-yl}carbonyl)-4-methyl-3-pyrrolidinol
CID 72838482
((3R*,4R*)-1-[(2-isopropyl-1,3-thiazol-4-yl)carbonyl]-4-{[(2-methoxyethyl)(methyl)amino]methyl}pyrrolidin-3-yl)methanol
CID 72914753
N-(2-hydroxy-2-methylpropyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 65198787
(3R*,4R*)-1-({2-[(dimethylamino)methyl]-1,3-thiazol-4-yl}carbonyl)-3,4-dimethyl-3-pyrrolidinol
CID 72886932
[(3R)-3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[2-(2-methylpropyl)-1,3-thiazol-4-yl]methanone
CID 164641471
[(3R,4S)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 164642437
(S)-4-(4,4-difluoro-2-methylpyrrolidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)thiazole-2-carboxamide
CID 121303200
4-(4,4-difluoro-2-methylpyrrolidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide
CID 121303201
4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-1,3-thiazole-2-carboxamide
CID 132057015
4-(4,4-difluoro-2-methylpyrrolidine-1-carbonyl)-N-(3-hydroxy-3-methylbutan-2-yl)-1,3-thiazole-2-carboxamide
CID 132057016

Frequently Asked Questions

What is the IUPAC name of [3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone?
The IUPAC name of [3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone (CID 56894144) is [3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone.
What is the SMILES notation for [3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone?
The canonical SMILES for [3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone is CCCc1nc(C(=O)N2CCC(O)(CN(C)C)C2)cs1.
What is the InChIKey of [3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone?
The InChIKey is OVZDPQFAUMJMRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-4-5-12-15-11(8-20-12)13(18)17-7-6-14(19,10-17)9-16(2)3/h8,19H,4-7,9-10H2,1-3H3.
What are the key properties of [3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone?
[3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone has a molecular weight of 297.42 g/mol, XLogP of 1.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 56894144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).