2-[4-[[1-(1,3-thiazol-2-yl)pyrrolidine-2-carbonyl]amino]phenyl]ethyl carbamate

C17H20N4O3S — CID 174952449

IUPAC2-[4-[[1-(1,3-thiazol-2-yl)pyrrolidine-2-carbonyl]amino]phenyl]ethyl carbamate
SMILESNC(=O)OCCc1ccc(NC(=O)C2CCCN2c2nccs2)cc1
InChIInChI=1S/C17H20N4O3S/c18-16(23)24-10-7-12-3-5-13(6-4-12)20-15(22)14-2-1-9-21(14)17-19-8-11-25-17/h3-6,8,11,14H,1-2,7,9-10H2,(H2,18,23)(H,20,22)
InChIKeyGVDRGOCDAJYZKE-UHFFFAOYSA-N
MW360.44 g/mol
LogP2.39
Rot. Bonds6

About 2-[4-[[1-(1,3-thiazol-2-yl)pyrrolidine-2-carbonyl]amino]phenyl]ethyl carbamate

2-[4-[[1-(1,3-thiazol-2-yl)pyrrolidine-2-carbonyl]amino]phenyl]ethyl carbamate (PubChem CID 174952449) has the molecular formula C17H20N4O3S and a molecular weight of 360.44 g/mol. Its IUPAC name is 2-[4-[[1-(1,3-thiazol-2-yl)pyrrolidine-2-carbonyl]amino]phenyl]ethyl carbamate.

Molecular Properties

Compound Name2-[4-[[1-(1,3-thiazol-2-yl)pyrrolidine-2-carbonyl]amino]phenyl]ethyl carbamate
PubChem CID174952449
Molecular FormulaC17H20N4O3S
Molecular Weight360.44 g/mol
Exact Mass360.13
IUPAC Name2-[4-[[1-(1,3-thiazol-2-yl)pyrrolidine-2-carbonyl]amino]phenyl]ethyl carbamate
SMILESNC(=O)OCCc1ccc(NC(=O)C2CCCN2c2nccs2)cc1
InChIInChI=1S/C17H20N4O3S/c18-16(23)24-10-7-12-3-5-13(6-4-12)20-15(22)14-2-1-9-21(14)17-19-8-11-25-17/h3-6,8,11,14H,1-2,7,9-10H2,(H2,18,23)(H,20,22)
InChIKeyGVDRGOCDAJYZKE-UHFFFAOYSA-N
XLogP2.39
TPSA97.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-N-(4-pyrimidin-2-yloxyphenyl)-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 95761691
(2R)-N-(3-oxo-1,2-dihydroisoindol-5-yl)-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 94829105
(2S)-N-(3-oxo-1,2-dihydroisoindol-5-yl)-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 95342420
(2S)-N-(5-methyl-1,3-thiazol-2-yl)-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 51936972
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxylate
CID 75512058
N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 112822162
N-[5-(2-hydroxypropan-2-yl)-1,3,4-thiadiazol-2-yl]-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 155950021
N-[3-(1-ethyltetrazol-5-yl)phenyl]-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 136526924
(2R)-N-[5-(dimethylamino)-2-pyridinyl]-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 95620247
methyl 4-methyl-3-[[1-(1,3-thiazol-2-yl)pyrrolidine-2-carbonyl]amino]benzoate
CID 42891704
(2S)-N-[(2R)-2-hydroxy-2-phenylpropyl]-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 97019874
(2R)-N-[methyl(propyl)sulfamoyl]-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 124570759

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[1-(1,3-thiazol-2-yl)pyrrolidine-2-carbonyl]amino]phenyl]ethyl carbamate?
The IUPAC name of 2-[4-[[1-(1,3-thiazol-2-yl)pyrrolidine-2-carbonyl]amino]phenyl]ethyl carbamate (CID 174952449) is 2-[4-[[1-(1,3-thiazol-2-yl)pyrrolidine-2-carbonyl]amino]phenyl]ethyl carbamate.
What is the SMILES notation for 2-[4-[[1-(1,3-thiazol-2-yl)pyrrolidine-2-carbonyl]amino]phenyl]ethyl carbamate?
The canonical SMILES for 2-[4-[[1-(1,3-thiazol-2-yl)pyrrolidine-2-carbonyl]amino]phenyl]ethyl carbamate is NC(=O)OCCc1ccc(NC(=O)C2CCCN2c2nccs2)cc1.
What is the InChIKey of 2-[4-[[1-(1,3-thiazol-2-yl)pyrrolidine-2-carbonyl]amino]phenyl]ethyl carbamate?
The InChIKey is GVDRGOCDAJYZKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3S/c18-16(23)24-10-7-12-3-5-13(6-4-12)20-15(22)14-2-1-9-21(14)17-19-8-11-25-17/h3-6,8,11,14H,1-2,7,9-10H2,(H2,18,23)(H,20,22).
What are the key properties of 2-[4-[[1-(1,3-thiazol-2-yl)pyrrolidine-2-carbonyl]amino]phenyl]ethyl carbamate?
2-[4-[[1-(1,3-thiazol-2-yl)pyrrolidine-2-carbonyl]amino]phenyl]ethyl carbamate has a molecular weight of 360.44 g/mol, XLogP of 2.39, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[1-(1,3-thiazol-2-yl)pyrrolidine-2-carbonyl]amino]phenyl]ethyl carbamate is sourced from PubChem (CID 174952449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).