phenyl N-[[5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]carbamate

C16H21N3O3S — CID 69240790

IUPACphenyl N-[[5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]carbamate
SMILESO=C(NCC1CNC(C(=O)N2CCSC2)C1)Oc1ccccc1
InChIInChI=1S/C16H21N3O3S/c20-15(19-6-7-23-11-19)14-8-12(9-17-14)10-18-16(21)22-13-4-2-1-3-5-13/h1-5,12,14,17H,6-11H2,(H,18,21)
InChIKeyHSIDALOLDLIXMI-UHFFFAOYSA-N
MW335.43 g/mol
LogP1.29
Rot. Bonds4

About phenyl N-[[5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]carbamate

phenyl N-[[5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]carbamate (PubChem CID 69240790) has the molecular formula C16H21N3O3S and a molecular weight of 335.43 g/mol. Its IUPAC name is phenyl N-[[5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]carbamate.

Molecular Properties

Compound Namephenyl N-[[5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]carbamate
PubChem CID69240790
Molecular FormulaC16H21N3O3S
Molecular Weight335.43 g/mol
Exact Mass335.13
IUPAC Namephenyl N-[[5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]carbamate
SMILESO=C(NCC1CNC(C(=O)N2CCSC2)C1)Oc1ccccc1
InChIInChI=1S/C16H21N3O3S/c20-15(19-6-7-23-11-19)14-8-12(9-17-14)10-18-16(21)22-13-4-2-1-3-5-13/h1-5,12,14,17H,6-11H2,(H,18,21)
InChIKeyHSIDALOLDLIXMI-UHFFFAOYSA-N
XLogP1.29
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[(5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]benzamide
CID 59681850
N-[[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]benzamide
CID 11659739
4-(phenoxymethyl)-N-[[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]benzamide
CID 11604276
(2S)-2-methoxy-2-phenyl-N-[[5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]acetamide
CID 69241471
2-bromo-N-[[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]benzamide
CID 69241009
4-methoxy-N-[[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]benzamide
CID 69242489
1-(2-methoxyphenyl)-3-[[5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]urea
CID 69240965
3-(4-methoxyphenyl)-N-[[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]propanamide
CID 69240971
3-(4-methoxyphenyl)-N-[[5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]propanamide
CID 69240975
3,5-dimethyl-N-[[5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]benzamide
CID 69238431
4-bromo-N-[[5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]benzamide
CID 69238518
N-[[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]quinoxaline-2-carboxamide
CID 91366956

Frequently Asked Questions

What is the IUPAC name of phenyl N-[[5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]carbamate?
The IUPAC name of phenyl N-[[5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]carbamate (CID 69240790) is phenyl N-[[5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]carbamate.
What is the SMILES notation for phenyl N-[[5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]carbamate?
The canonical SMILES for phenyl N-[[5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]carbamate is O=C(NCC1CNC(C(=O)N2CCSC2)C1)Oc1ccccc1.
What is the InChIKey of phenyl N-[[5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]carbamate?
The InChIKey is HSIDALOLDLIXMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3S/c20-15(19-6-7-23-11-19)14-8-12(9-17-14)10-18-16(21)22-13-4-2-1-3-5-13/h1-5,12,14,17H,6-11H2,(H,18,21).
What are the key properties of phenyl N-[[5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]carbamate?
phenyl N-[[5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]carbamate has a molecular weight of 335.43 g/mol, XLogP of 1.29, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[[5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]carbamate is sourced from PubChem (CID 69240790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).