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

C13H15N3OS2 — CID 97189230

IUPAC(3S)-1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxamide
SMILESNC(=O)[C@H]1CCN(Cc2csc(-c3ccsc3)n2)C1
InChIInChI=1S/C13H15N3OS2/c14-12(17)9-1-3-16(5-9)6-11-8-19-13(15-11)10-2-4-18-7-10/h2,4,7-9H,1,3,5-6H2,(H2,14,17)/t9-/m0/s1
InChIKeyJQAHJOGTMVJCBW-VIFPVBQESA-N
MW293.42 g/mol
LogP2.18
Rot. Bonds4

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

(3S)-1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxamide (PubChem CID 97189230) has the molecular formula C13H15N3OS2 and a molecular weight of 293.42 g/mol. Its IUPAC name is (3S)-1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxamide
PubChem CID97189230
Molecular FormulaC13H15N3OS2
Molecular Weight293.42 g/mol
Exact Mass293.07
IUPAC Name(3S)-1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxamide
SMILESNC(=O)[C@H]1CCN(Cc2csc(-c3ccsc3)n2)C1
InChIInChI=1S/C13H15N3OS2/c14-12(17)9-1-3-16(5-9)6-11-8-19-13(15-11)10-2-4-18-7-10/h2,4,7-9H,1,3,5-6H2,(H2,14,17)/t9-/m0/s1
InChIKeyJQAHJOGTMVJCBW-VIFPVBQESA-N
XLogP2.18
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.42
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-2-(2-propan-2-yl-1,3-thiazol-4-yl)-N-(thiophen-3-ylmethyl)acetamide
CID 45887477
1-[(3R)-1-ethylpyrrolidin-3-yl]-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]methanamine
CID 97028745
1-[4-(2,2-Difluoroethyl)piperazin-1-yl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)ethanone
CID 49071081
2-(2-Thiophen-3-yl-1,3-thiazol-4-yl)-1-[4-(2,2,2-trifluoroethyl)-1,4-diazepan-1-yl]ethanone
CID 55685430
(3S,4S)-1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 120953680
2-Fluoro-2-[1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]acetamide
CID 132349085
N-prop-2-enyl-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 133610630
N-propan-2-yl-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 17462106
1-[4-[(2-Thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperazin-4-ium-1-yl]ethanone
CID 8435074
1-[4-[(2-Thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethanone
CID 8435075
(3S)-1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperidin-1-ium-3-carboxamide
CID 8546820
(3S)-1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperidine-3-carboxamide
CID 8546821

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxamide (CID 97189230) is (3S)-1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxamide is NC(=O)[C@H]1CCN(Cc2csc(-c3ccsc3)n2)C1.
What is the InChIKey of (3S)-1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxamide?
The InChIKey is JQAHJOGTMVJCBW-VIFPVBQESA-N. The full InChI is InChI=1S/C13H15N3OS2/c14-12(17)9-1-3-16(5-9)6-11-8-19-13(15-11)10-2-4-18-7-10/h2,4,7-9H,1,3,5-6H2,(H2,14,17)/t9-/m0/s1.
What are the key properties of (3S)-1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxamide?
(3S)-1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxamide has a molecular weight of 293.42 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 97189230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).