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

C15H18ClN3O2S — CID 129342748

IUPAC5-chloro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-[[(3S)-pyrrolidin-3-yl]methyl]furan-2-carboxamide
SMILESCc1ncsc1CN(C[C@H]1CCNC1)C(=O)c1ccc(Cl)o1
InChIInChI=1S/C15H18ClN3O2S/c1-10-13(22-9-18-10)8-19(7-11-4-5-17-6-11)15(20)12-2-3-14(16)21-12/h2-3,9,11,17H,4-8H2,1H3/t11-/m0/s1
InChIKeyUZLDRSHLXYFPGV-NSHDSACASA-N
MW339.85 g/mol
LogP2.95
Rot. Bonds5

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

5-chloro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-[[(3S)-pyrrolidin-3-yl]methyl]furan-2-carboxamide (PubChem CID 129342748) has the molecular formula C15H18ClN3O2S and a molecular weight of 339.85 g/mol. Its IUPAC name is 5-chloro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-[[(3S)-pyrrolidin-3-yl]methyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-[[(3S)-pyrrolidin-3-yl]methyl]furan-2-carboxamide
PubChem CID129342748
Molecular FormulaC15H18ClN3O2S
Molecular Weight339.85 g/mol
Exact Mass339.08
IUPAC Name5-chloro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-[[(3S)-pyrrolidin-3-yl]methyl]furan-2-carboxamide
SMILESCc1ncsc1CN(C[C@H]1CCNC1)C(=O)c1ccc(Cl)o1
InChIInChI=1S/C15H18ClN3O2S/c1-10-13(22-9-18-10)8-19(7-11-4-5-17-6-11)15(20)12-2-3-14(16)21-12/h2-3,9,11,17H,4-8H2,1H3/t11-/m0/s1
InChIKeyUZLDRSHLXYFPGV-NSHDSACASA-N
XLogP2.95
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.85
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-[[(3R)-pyrrolidin-3-yl]methyl]furan-2-carboxamide
CID 129342747
2-fluoro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-(pyrrolidin-3-ylmethyl)benzamide
CID 128993498
2-fluoro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-[[(3S)-pyrrolidin-3-yl]methyl]benzamide
CID 129335678
6-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-oxo-N-[[(3S)-pyrrolidin-3-yl]methyl]-1H-pyridine-3-carboxamide
CID 129344134
3-methoxy-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-[[(3R)-pyrrolidin-3-yl]methyl]benzamide
CID 129337972
1-ethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-[[(3S)-pyrrolidin-3-yl]methyl]pyrazole-4-carboxamide
CID 129342980
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-[[(3R)-pyrrolidin-3-yl]methyl]acetamide
CID 129336128
N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-[(3S)-pyrrolidin-3-yl]methanamine
CID 95364029
N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-(2-oxo-1-pyridinyl)-N-[[(3R)-pyrrolidin-3-yl]methyl]acetamide
CID 129344186
5-chloro-N-ethyl-N-(piperidin-3-ylmethyl)furan-2-carboxamide
CID 106629633
N-[(3-chlorothiophen-2-yl)methyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-pyrrolidin-3-ylmethanamine;hydrochloride
CID 120845031
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-[(3R)-pyrrolidin-3-yl]methanamine
CID 129324317

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-[[(3S)-pyrrolidin-3-yl]methyl]furan-2-carboxamide?
The IUPAC name of 5-chloro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-[[(3S)-pyrrolidin-3-yl]methyl]furan-2-carboxamide (CID 129342748) is 5-chloro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-[[(3S)-pyrrolidin-3-yl]methyl]furan-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-[[(3S)-pyrrolidin-3-yl]methyl]furan-2-carboxamide?
The canonical SMILES for 5-chloro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-[[(3S)-pyrrolidin-3-yl]methyl]furan-2-carboxamide is Cc1ncsc1CN(C[C@H]1CCNC1)C(=O)c1ccc(Cl)o1.
What is the InChIKey of 5-chloro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-[[(3S)-pyrrolidin-3-yl]methyl]furan-2-carboxamide?
The InChIKey is UZLDRSHLXYFPGV-NSHDSACASA-N. The full InChI is InChI=1S/C15H18ClN3O2S/c1-10-13(22-9-18-10)8-19(7-11-4-5-17-6-11)15(20)12-2-3-14(16)21-12/h2-3,9,11,17H,4-8H2,1H3/t11-/m0/s1.
What are the key properties of 5-chloro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-[[(3S)-pyrrolidin-3-yl]methyl]furan-2-carboxamide?
5-chloro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-[[(3S)-pyrrolidin-3-yl]methyl]furan-2-carboxamide has a molecular weight of 339.85 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-[[(3S)-pyrrolidin-3-yl]methyl]furan-2-carboxamide is sourced from PubChem (CID 129342748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).