(2S)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidine-2-carboxamide

C11H17N3OS — CID 63836370

IUPAC(2S)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidine-2-carboxamide
SMILESCc1ncsc1CN(C)C(=O)[C@@H]1CCCN1
InChIInChI=1S/C11H17N3OS/c1-8-10(16-7-13-8)6-14(2)11(15)9-4-3-5-12-9/h7,9,12H,3-6H2,1-2H3/t9-/m0/s1
InChIKeyBNFXWVNOEIXMKF-VIFPVBQESA-N
MW239.34 g/mol
LogP1.16
Rot. Bonds3

About (2S)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidine-2-carboxamide

(2S)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidine-2-carboxamide (PubChem CID 63836370) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is (2S)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidine-2-carboxamide
PubChem CID63836370
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC Name(2S)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidine-2-carboxamide
SMILESCc1ncsc1CN(C)C(=O)[C@@H]1CCCN1
InChIInChI=1S/C11H17N3OS/c1-8-10(16-7-13-8)6-14(2)11(15)9-4-3-5-12-9/h7,9,12H,3-6H2,1-2H3/t9-/m0/s1
InChIKeyBNFXWVNOEIXMKF-VIFPVBQESA-N
XLogP1.16
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidine-2-carboxamide (CID 63836370) is (2S)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidine-2-carboxamide is Cc1ncsc1CN(C)C(=O)[C@@H]1CCCN1.
What is the InChIKey of (2S)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidine-2-carboxamide?
The InChIKey is BNFXWVNOEIXMKF-VIFPVBQESA-N. The full InChI is InChI=1S/C11H17N3OS/c1-8-10(16-7-13-8)6-14(2)11(15)9-4-3-5-12-9/h7,9,12H,3-6H2,1-2H3/t9-/m0/s1.
What are the key properties of (2S)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidine-2-carboxamide?
(2S)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidine-2-carboxamide has a molecular weight of 239.34 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 63836370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).