4-chloro-N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]benzamide

C14H14ClN3OS — CID 121144583

IUPAC4-chloro-N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]benzamide
SMILESO=C(NC1CCN(c2nccs2)C1)c1ccc(Cl)cc1
InChIInChI=1S/C14H14ClN3OS/c15-11-3-1-10(2-4-11)13(19)17-12-5-7-18(9-12)14-16-6-8-20-14/h1-4,6,8,12H,5,7,9H2,(H,17,19)
InChIKeyMAAZGMUWTDEICT-UHFFFAOYSA-N
MW307.81 g/mol
LogP2.81
Rot. Bonds3

About 4-chloro-N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]benzamide

4-chloro-N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]benzamide (PubChem CID 121144583) has the molecular formula C14H14ClN3OS and a molecular weight of 307.81 g/mol. Its IUPAC name is 4-chloro-N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]benzamide
PubChem CID121144583
Molecular FormulaC14H14ClN3OS
Molecular Weight307.81 g/mol
Exact Mass307.05
IUPAC Name4-chloro-N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]benzamide
SMILESO=C(NC1CCN(c2nccs2)C1)c1ccc(Cl)cc1
InChIInChI=1S/C14H14ClN3OS/c15-11-3-1-10(2-4-11)13(19)17-12-5-7-18(9-12)14-16-6-8-20-14/h1-4,6,8,12H,5,7,9H2,(H,17,19)
InChIKeyMAAZGMUWTDEICT-UHFFFAOYSA-N
XLogP2.81
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.81
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-propan-2-yloxy-N-[(3R)-1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]benzamide
CID 99875296
3,4-dimethoxy-N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]benzamide
CID 121144613
4-phenyl-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzamide
CID 90597412
2-methyl-N-[(3S)-1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]-1,3-benzothiazole-6-carboxamide
CID 99875383
1-(4-chlorophenyl)-3-[1-(1,3-thiazol-2-yl)piperidin-4-yl]urea
CID 90597446
N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]furan-2-carboxamide
CID 121144564
4-[(3-methylphenyl)sulfonylamino]-N-[(3R)-1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]benzamide
CID 99875343
1-phenyl-3-[(3R)-1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]urea
CID 99875460
4-butoxy-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzamide
CID 90597226
1-propyl-3-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]urea
CID 121144831
2,4-dimethyl-N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]-1,3-thiazole-5-carboxamide
CID 121144771
3,4-dimethoxy-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzamide
CID 90597214

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]benzamide?
The IUPAC name of 4-chloro-N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]benzamide (CID 121144583) is 4-chloro-N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]benzamide.
What is the SMILES notation for 4-chloro-N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]benzamide?
The canonical SMILES for 4-chloro-N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]benzamide is O=C(NC1CCN(c2nccs2)C1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]benzamide?
The InChIKey is MAAZGMUWTDEICT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3OS/c15-11-3-1-10(2-4-11)13(19)17-12-5-7-18(9-12)14-16-6-8-20-14/h1-4,6,8,12H,5,7,9H2,(H,17,19).
What are the key properties of 4-chloro-N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]benzamide?
4-chloro-N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]benzamide has a molecular weight of 307.81 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]benzamide is sourced from PubChem (CID 121144583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).