(2R)-N-(1,3-benzothiazol-6-yl)-2-(furan-2-yl)pyrrolidine-1-carboxamide

C16H15N3O2S — CID 99354971

IUPAC(2R)-N-(1,3-benzothiazol-6-yl)-2-(furan-2-yl)pyrrolidine-1-carboxamide
SMILESO=C(Nc1ccc2ncsc2c1)N1CCC[C@@H]1c1ccco1
InChIInChI=1S/C16H15N3O2S/c20-16(18-11-5-6-12-15(9-11)22-10-17-12)19-7-1-3-13(19)14-4-2-8-21-14/h2,4-6,8-10,13H,1,3,7H2,(H,18,20)/t13-/m1/s1
InChIKeyDDKOEZSPOPXNSK-CYBMUJFWSA-N
MW313.38 g/mol
LogP4.26
Rot. Bonds2

About (2R)-N-(1,3-benzothiazol-6-yl)-2-(furan-2-yl)pyrrolidine-1-carboxamide

(2R)-N-(1,3-benzothiazol-6-yl)-2-(furan-2-yl)pyrrolidine-1-carboxamide (PubChem CID 99354971) has the molecular formula C16H15N3O2S and a molecular weight of 313.38 g/mol. Its IUPAC name is (2R)-N-(1,3-benzothiazol-6-yl)-2-(furan-2-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-N-(1,3-benzothiazol-6-yl)-2-(furan-2-yl)pyrrolidine-1-carboxamide
PubChem CID99354971
Molecular FormulaC16H15N3O2S
Molecular Weight313.38 g/mol
Exact Mass313.09
IUPAC Name(2R)-N-(1,3-benzothiazol-6-yl)-2-(furan-2-yl)pyrrolidine-1-carboxamide
SMILESO=C(Nc1ccc2ncsc2c1)N1CCC[C@@H]1c1ccco1
InChIInChI=1S/C16H15N3O2S/c20-16(18-11-5-6-12-15(9-11)22-10-17-12)19-7-1-3-13(19)14-4-2-8-21-14/h2,4-6,8-10,13H,1,3,7H2,(H,18,20)/t13-/m1/s1
InChIKeyDDKOEZSPOPXNSK-CYBMUJFWSA-N
XLogP4.26
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromo-3-methylphenyl)-2-(furan-2-yl)pyrrolidine-1-carboxamide
CID 20896018
(2S)-N-(3-chloro-4-methylphenyl)-2-(furan-2-yl)pyrrolidine-1-carboxamide
CID 51550968
N-(3,4-dimethoxyphenyl)-2-(furan-2-yl)pyrrolidine-1-carboxamide
CID 20895993
(2S)-N-(3-chloro-4-fluorophenyl)-2-(furan-2-yl)pyrrolidine-1-carboxamide
CID 51550987
(2R)-N-(3-fluoro-4-methylphenyl)-2-(furan-2-yl)pyrrolidine-1-carboxamide
CID 51551012
(2S)-N-(2-tert-butyl-1,3-benzoxazol-5-yl)-2-(furan-2-yl)pyrrolidine-1-carboxamide
CID 99564424
(2R)-N-(2-bromophenyl)-2-(furan-2-yl)pyrrolidine-1-carboxamide
CID 92500060
N-(2,5-dimethylphenyl)-2-(furan-2-yl)pyrrolidine-1-carboxamide
CID 20895990
N-(1,3-benzothiazol-6-yl)-4-(cyclopropanecarbonyl)-1,4-diazepane-1-carboxamide
CID 99592169
1-[(2R)-2-(furan-2-yl)pyrrolidin-1-yl]ethanone
CID 124500835
(2R)-N-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-(furan-2-yl)azepane-1-carboxamide
CID 100665143
N-(1,3-benzothiazol-6-yl)oxolane-2-carboxamide
CID 24865983

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(1,3-benzothiazol-6-yl)-2-(furan-2-yl)pyrrolidine-1-carboxamide?
The IUPAC name of (2R)-N-(1,3-benzothiazol-6-yl)-2-(furan-2-yl)pyrrolidine-1-carboxamide (CID 99354971) is (2R)-N-(1,3-benzothiazol-6-yl)-2-(furan-2-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (2R)-N-(1,3-benzothiazol-6-yl)-2-(furan-2-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for (2R)-N-(1,3-benzothiazol-6-yl)-2-(furan-2-yl)pyrrolidine-1-carboxamide is O=C(Nc1ccc2ncsc2c1)N1CCC[C@@H]1c1ccco1.
What is the InChIKey of (2R)-N-(1,3-benzothiazol-6-yl)-2-(furan-2-yl)pyrrolidine-1-carboxamide?
The InChIKey is DDKOEZSPOPXNSK-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H15N3O2S/c20-16(18-11-5-6-12-15(9-11)22-10-17-12)19-7-1-3-13(19)14-4-2-8-21-14/h2,4-6,8-10,13H,1,3,7H2,(H,18,20)/t13-/m1/s1.
What are the key properties of (2R)-N-(1,3-benzothiazol-6-yl)-2-(furan-2-yl)pyrrolidine-1-carboxamide?
(2R)-N-(1,3-benzothiazol-6-yl)-2-(furan-2-yl)pyrrolidine-1-carboxamide has a molecular weight of 313.38 g/mol, XLogP of 4.26, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(1,3-benzothiazol-6-yl)-2-(furan-2-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 99354971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).