1-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxamide

C15H17N3OS — CID 154828970

IUPAC1-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxamide
SMILESNC(=O)C1CCCN1Cc1csc(-c2ccccc2)n1
InChIInChI=1S/C15H17N3OS/c16-14(19)13-7-4-8-18(13)9-12-10-20-15(17-12)11-5-2-1-3-6-11/h1-3,5-6,10,13H,4,7-9H2,(H2,16,19)
InChIKeyQIKBQAXMQSGLON-UHFFFAOYSA-N
MW287.39 g/mol
LogP2.26
Rot. Bonds4

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

1-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxamide (PubChem CID 154828970) has the molecular formula C15H17N3OS and a molecular weight of 287.39 g/mol. Its IUPAC name is 1-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxamide
PubChem CID154828970
Molecular FormulaC15H17N3OS
Molecular Weight287.39 g/mol
Exact Mass287.11
IUPAC Name1-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxamide
SMILESNC(=O)C1CCCN1Cc1csc(-c2ccccc2)n1
InChIInChI=1S/C15H17N3OS/c16-14(19)13-7-4-8-18(13)9-12-10-20-15(17-12)11-5-2-1-3-6-11/h1-3,5-6,10,13H,4,7-9H2,(H2,16,19)
InChIKeyQIKBQAXMQSGLON-UHFFFAOYSA-N
XLogP2.26
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidine-2-carboxamide
CID 94014669
1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperidine-2-carboxamide
CID 53498925
2-[1-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]acetic acid
CID 61370722
(2S)-1-[[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]methyl]piperidine-2-carboxamide
CID 95161172
(2R)-1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 119913874
(2R)-1-benzylpyrrolidine-2-carboxamide;hydrochloride
CID 141477985
(2R)-1-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxylic acid
CID 119914241
1-[(6-amino-2-pyridinyl)methyl]pyrrolidine-2-carboxamide
CID 79243973
1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]pyrrolidine-2-carboxylic acid
CID 43442132
3-amino-N-[[1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120911461
(3S)-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-3-ol
CID 29231219
4-[[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-2-phenyl-1,3-thiazole
CID 95322878

Frequently Asked Questions

What is the IUPAC name of 1-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxamide (CID 154828970) is 1-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxamide is NC(=O)C1CCCN1Cc1csc(-c2ccccc2)n1.
What is the InChIKey of 1-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxamide?
The InChIKey is QIKBQAXMQSGLON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3OS/c16-14(19)13-7-4-8-18(13)9-12-10-20-15(17-12)11-5-2-1-3-6-11/h1-3,5-6,10,13H,4,7-9H2,(H2,16,19).
What are the key properties of 1-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxamide?
1-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxamide has a molecular weight of 287.39 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 154828970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).