benzyl N-[1-(2-propyl-1,3-thiazole-4-carbonyl)pyrrolidin-3-yl]carbamate

C19H23N3O3S — CID 74240582

IUPACbenzyl N-[1-(2-propyl-1,3-thiazole-4-carbonyl)pyrrolidin-3-yl]carbamate
SMILESCCCc1nc(C(=O)N2CCC(NC(=O)OCc3ccccc3)C2)cs1
InChIInChI=1S/C19H23N3O3S/c1-2-6-17-21-16(13-26-17)18(23)22-10-9-15(11-22)20-19(24)25-12-14-7-4-3-5-8-14/h3-5,7-8,13,15H,2,6,9-12H2,1H3,(H,20,24)
InChIKeyAEYCIMDXYGTIBM-UHFFFAOYSA-N
MW373.48 g/mol
LogP3.24
Rot. Bonds6

About benzyl N-[1-(2-propyl-1,3-thiazole-4-carbonyl)pyrrolidin-3-yl]carbamate

benzyl N-[1-(2-propyl-1,3-thiazole-4-carbonyl)pyrrolidin-3-yl]carbamate (PubChem CID 74240582) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is benzyl N-[1-(2-propyl-1,3-thiazole-4-carbonyl)pyrrolidin-3-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[1-(2-propyl-1,3-thiazole-4-carbonyl)pyrrolidin-3-yl]carbamate
PubChem CID74240582
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC Namebenzyl N-[1-(2-propyl-1,3-thiazole-4-carbonyl)pyrrolidin-3-yl]carbamate
SMILESCCCc1nc(C(=O)N2CCC(NC(=O)OCc3ccccc3)C2)cs1
InChIInChI=1S/C19H23N3O3S/c1-2-6-17-21-16(13-26-17)18(23)22-10-9-15(11-22)20-19(24)25-12-14-7-4-3-5-8-14/h3-5,7-8,13,15H,2,6,9-12H2,1H3,(H,20,24)
InChIKeyAEYCIMDXYGTIBM-UHFFFAOYSA-N
XLogP3.24
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

benzyl N-(1-carbamoylpyrrolidin-3-yl)carbamate
CID 130774692
N-[(3S)-1-benzylpyrrolidin-3-yl]-2-propyl-1,3-thiazole-4-carboxamide
CID 72893525
[3-(methylamino)piperidin-1-yl]-[2-(2-phenylethyl)-1,3-thiazol-4-yl]methanone;dihydrochloride
CID 119490541
benzyl N-[1-[2-[(4,6-dimethylpyrimidin-2-yl)amino]-1,3-thiazole-4-carbonyl]azetidin-3-yl]carbamate
CID 146024157
N-[1-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]pyrrolidin-3-yl]acetamide
CID 113402246
methyl N-[1-(2-amino-1,3-thiazole-4-carbonyl)pyrrolidin-3-yl]carbamate
CID 113402195
benzyl N-[(3S)-1-(1-methyl-2-oxopyridine-3-carbonyl)pyrrolidin-3-yl]carbamate
CID 99936099
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-(4-benzylpiperidin-1-yl)methanone
CID 120616229
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-(4-benzylpiperidin-1-yl)methanone;hydrochloride
CID 120616228
(3-methoxypiperidin-1-yl)-(2-propyl-1,3-thiazol-4-yl)methanone
CID 72865941
benzyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidine-1-carboxylate
CID 14555478
benzyl N-[(3S)-1-(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)pyrrolidin-3-yl]carbamate
CID 99957560

Frequently Asked Questions

What is the IUPAC name of benzyl N-[1-(2-propyl-1,3-thiazole-4-carbonyl)pyrrolidin-3-yl]carbamate?
The IUPAC name of benzyl N-[1-(2-propyl-1,3-thiazole-4-carbonyl)pyrrolidin-3-yl]carbamate (CID 74240582) is benzyl N-[1-(2-propyl-1,3-thiazole-4-carbonyl)pyrrolidin-3-yl]carbamate.
What is the SMILES notation for benzyl N-[1-(2-propyl-1,3-thiazole-4-carbonyl)pyrrolidin-3-yl]carbamate?
The canonical SMILES for benzyl N-[1-(2-propyl-1,3-thiazole-4-carbonyl)pyrrolidin-3-yl]carbamate is CCCc1nc(C(=O)N2CCC(NC(=O)OCc3ccccc3)C2)cs1.
What is the InChIKey of benzyl N-[1-(2-propyl-1,3-thiazole-4-carbonyl)pyrrolidin-3-yl]carbamate?
The InChIKey is AEYCIMDXYGTIBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S/c1-2-6-17-21-16(13-26-17)18(23)22-10-9-15(11-22)20-19(24)25-12-14-7-4-3-5-8-14/h3-5,7-8,13,15H,2,6,9-12H2,1H3,(H,20,24).
What are the key properties of benzyl N-[1-(2-propyl-1,3-thiazole-4-carbonyl)pyrrolidin-3-yl]carbamate?
benzyl N-[1-(2-propyl-1,3-thiazole-4-carbonyl)pyrrolidin-3-yl]carbamate has a molecular weight of 373.48 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[1-(2-propyl-1,3-thiazole-4-carbonyl)pyrrolidin-3-yl]carbamate is sourced from PubChem (CID 74240582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).