(2R)-1-(cyclopropylmethyl)-N-[4-(1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide

C18H21N3OS — CID 26315736

IUPAC(2R)-1-(cyclopropylmethyl)-N-[4-(1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccc(-c2cscn2)cc1)[C@H]1CCCN1CC1CC1
InChIInChI=1S/C18H21N3OS/c22-18(17-2-1-9-21(17)10-13-3-4-13)20-15-7-5-14(6-8-15)16-11-23-12-19-16/h5-8,11-13,17H,1-4,9-10H2,(H,20,22)/t17-/m1/s1
InChIKeyRVROWFMVSKZQIE-QGZVFWFLSA-N
MW327.45 g/mol
LogP3.62
Rot. Bonds5

About (2R)-1-(cyclopropylmethyl)-N-[4-(1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide

(2R)-1-(cyclopropylmethyl)-N-[4-(1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide (PubChem CID 26315736) has the molecular formula C18H21N3OS and a molecular weight of 327.45 g/mol. Its IUPAC name is (2R)-1-(cyclopropylmethyl)-N-[4-(1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-(cyclopropylmethyl)-N-[4-(1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide
PubChem CID26315736
Molecular FormulaC18H21N3OS
Molecular Weight327.45 g/mol
Exact Mass327.14
IUPAC Name(2R)-1-(cyclopropylmethyl)-N-[4-(1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccc(-c2cscn2)cc1)[C@H]1CCCN1CC1CC1
InChIInChI=1S/C18H21N3OS/c22-18(17-2-1-9-21(17)10-13-3-4-13)20-15-7-5-14(6-8-15)16-11-23-12-19-16/h5-8,11-13,17H,1-4,9-10H2,(H,20,22)/t17-/m1/s1
InChIKeyRVROWFMVSKZQIE-QGZVFWFLSA-N
XLogP3.62
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-benzyl-N-[4-(1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide
CID 42461531
(2R)-1-[(E)-2-methylbut-2-enyl]-N-[4-(1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide
CID 42241276
(2R)-1-benzyl-N-[4-(1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide
CID 42461535
N-[4-(1,3-thiazol-4-yl)phenyl]-1-[(3,5,6-trimethylpyrazin-2-yl)methyl]pyrrolidine-2-carboxamide
CID 45192719
1-[(1-methylimidazol-2-yl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide
CID 45243042
(2S)-1-[(6-methyl-2-pyridinyl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide
CID 42595262
(2R)-1-[(6-methyl-2-pyridinyl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide
CID 42595260
(2R)-1-[(1-ethylpyrazol-4-yl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide
CID 25366566
(2R)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide
CID 42192308
1-methylsulfonyl-N-[4-(1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide
CID 72881399
(3R)-1-propylsulfonyl-N-[4-(1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide
CID 97275488
1-(3-methylsulfanylpropyl)-N-[4-(1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide
CID 45220934

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(cyclopropylmethyl)-N-[4-(1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-1-(cyclopropylmethyl)-N-[4-(1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide (CID 26315736) is (2R)-1-(cyclopropylmethyl)-N-[4-(1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-1-(cyclopropylmethyl)-N-[4-(1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-1-(cyclopropylmethyl)-N-[4-(1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide is O=C(Nc1ccc(-c2cscn2)cc1)[C@H]1CCCN1CC1CC1.
What is the InChIKey of (2R)-1-(cyclopropylmethyl)-N-[4-(1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide?
The InChIKey is RVROWFMVSKZQIE-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H21N3OS/c22-18(17-2-1-9-21(17)10-13-3-4-13)20-15-7-5-14(6-8-15)16-11-23-12-19-16/h5-8,11-13,17H,1-4,9-10H2,(H,20,22)/t17-/m1/s1.
What are the key properties of (2R)-1-(cyclopropylmethyl)-N-[4-(1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide?
(2R)-1-(cyclopropylmethyl)-N-[4-(1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide has a molecular weight of 327.45 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(cyclopropylmethyl)-N-[4-(1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 26315736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).