4-chloro-N-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]-1,3-thiazole-2-carboxamide

C17H20ClN3OS — CID 154755126

IUPAC4-chloro-N-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]-1,3-thiazole-2-carboxamide
SMILESO=C(NCC1CCN(CCc2ccccc2)C1)c1nc(Cl)cs1
InChIInChI=1S/C17H20ClN3OS/c18-15-12-23-17(20-15)16(22)19-10-14-7-9-21(11-14)8-6-13-4-2-1-3-5-13/h1-5,12,14H,6-11H2,(H,19,22)
InChIKeyFBKOTIMVBCPHEY-UHFFFAOYSA-N
MW349.89 g/mol
LogP3.09
Rot. Bonds6

About 4-chloro-N-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]-1,3-thiazole-2-carboxamide

4-chloro-N-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]-1,3-thiazole-2-carboxamide (PubChem CID 154755126) has the molecular formula C17H20ClN3OS and a molecular weight of 349.89 g/mol. Its IUPAC name is 4-chloro-N-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]-1,3-thiazole-2-carboxamide
PubChem CID154755126
Molecular FormulaC17H20ClN3OS
Molecular Weight349.89 g/mol
Exact Mass349.10
IUPAC Name4-chloro-N-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]-1,3-thiazole-2-carboxamide
SMILESO=C(NCC1CCN(CCc2ccccc2)C1)c1nc(Cl)cs1
InChIInChI=1S/C17H20ClN3OS/c18-15-12-23-17(20-15)16(22)19-10-14-7-9-21(11-14)8-6-13-4-2-1-3-5-13/h1-5,12,14H,6-11H2,(H,19,22)
InChIKeyFBKOTIMVBCPHEY-UHFFFAOYSA-N
XLogP3.09
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.89
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]naphthalene-2-carboxamide
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2-(3-fluorophenyl)-N-[[(3S)-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]acetamide
CID 95302178
1-[[(3S)-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]-3-prop-2-enylurea
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1-[[(3S)-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]-3-(pyridin-3-ylmethyl)urea
CID 95570929
(2R,6R)-2,6-dimethyl-N-[[(3R)-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]morpholine-4-carboxamide
CID 100844139
1-[(1R,2R)-2-methylcyclopropyl]-3-[[(3R)-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]urea
CID 129423731
4-amino-N-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]pentanamide
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5-amino-2-methyl-N-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]benzamide;dihydrochloride
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4-amino-N-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]pentanamide;dihydrochloride
CID 120565089
3-amino-N-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119866949
5-oxo-N-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]pyrrolidine-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]-1,3-thiazole-2-carboxamide?
The IUPAC name of 4-chloro-N-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]-1,3-thiazole-2-carboxamide (CID 154755126) is 4-chloro-N-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]-1,3-thiazole-2-carboxamide.
What is the SMILES notation for 4-chloro-N-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]-1,3-thiazole-2-carboxamide?
The canonical SMILES for 4-chloro-N-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]-1,3-thiazole-2-carboxamide is O=C(NCC1CCN(CCc2ccccc2)C1)c1nc(Cl)cs1.
What is the InChIKey of 4-chloro-N-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]-1,3-thiazole-2-carboxamide?
The InChIKey is FBKOTIMVBCPHEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3OS/c18-15-12-23-17(20-15)16(22)19-10-14-7-9-21(11-14)8-6-13-4-2-1-3-5-13/h1-5,12,14H,6-11H2,(H,19,22).
What are the key properties of 4-chloro-N-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]-1,3-thiazole-2-carboxamide?
4-chloro-N-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]-1,3-thiazole-2-carboxamide has a molecular weight of 349.89 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 154755126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).