N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]-9H-xanthene-9-carboxamide

C21H19N3O2S — CID 121144632

IUPACN-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]-9H-xanthene-9-carboxamide
SMILESO=C(NC1CCN(c2nccs2)C1)C1c2ccccc2Oc2ccccc21
InChIInChI=1S/C21H19N3O2S/c25-20(23-14-9-11-24(13-14)21-22-10-12-27-21)19-15-5-1-3-7-17(15)26-18-8-4-2-6-16(18)19/h1-8,10,12,14,19H,9,11,13H2,(H,23,25)
InChIKeyKVSWLPHNEFPZIM-UHFFFAOYSA-N
MW377.47 g/mol
LogP3.78
Rot. Bonds3

About N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]-9H-xanthene-9-carboxamide

N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]-9H-xanthene-9-carboxamide (PubChem CID 121144632) has the molecular formula C21H19N3O2S and a molecular weight of 377.47 g/mol. Its IUPAC name is N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]-9H-xanthene-9-carboxamide.

Molecular Properties

Compound NameN-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]-9H-xanthene-9-carboxamide
PubChem CID121144632
Molecular FormulaC21H19N3O2S
Molecular Weight377.47 g/mol
Exact Mass377.12
IUPAC NameN-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]-9H-xanthene-9-carboxamide
SMILESO=C(NC1CCN(c2nccs2)C1)C1c2ccccc2Oc2ccccc21
InChIInChI=1S/C21H19N3O2S/c25-20(23-14-9-11-24(13-14)21-22-10-12-27-21)19-15-5-1-3-7-17(15)26-18-8-4-2-6-16(18)19/h1-8,10,12,14,19H,9,11,13H2,(H,23,25)
InChIKeyKVSWLPHNEFPZIM-UHFFFAOYSA-N
XLogP3.78
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-phenyl-3-[(3R)-1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]urea
CID 99875460
N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]furan-2-carboxamide
CID 121144564
N-cyclohexyl-9H-xanthene-9-carboxamide
CID 718107
N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]-1H-indole-3-carboxamide
CID 121144787
4-chloro-N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]benzamide
CID 121144583
2-phenoxy-N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]benzamide
CID 121144744
N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]pentanamide
CID 121144562
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
(E)-3-(1,3-benzodioxol-5-yl)-N-[(3R)-1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]prop-2-enamide
CID 99875314
3,4-dimethoxy-N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]benzamide
CID 121144613
N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]furan-2-carboxamide
CID 73168320

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]-9H-xanthene-9-carboxamide?
The IUPAC name of N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]-9H-xanthene-9-carboxamide (CID 121144632) is N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]-9H-xanthene-9-carboxamide.
What is the SMILES notation for N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]-9H-xanthene-9-carboxamide?
The canonical SMILES for N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]-9H-xanthene-9-carboxamide is O=C(NC1CCN(c2nccs2)C1)C1c2ccccc2Oc2ccccc21.
What is the InChIKey of N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]-9H-xanthene-9-carboxamide?
The InChIKey is KVSWLPHNEFPZIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O2S/c25-20(23-14-9-11-24(13-14)21-22-10-12-27-21)19-15-5-1-3-7-17(15)26-18-8-4-2-6-16(18)19/h1-8,10,12,14,19H,9,11,13H2,(H,23,25).
What are the key properties of N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]-9H-xanthene-9-carboxamide?
N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]-9H-xanthene-9-carboxamide has a molecular weight of 377.47 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]-9H-xanthene-9-carboxamide is sourced from PubChem (CID 121144632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).