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

C16H21N3O2S2 — CID 74244576

IUPACN-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
SMILESCSCc1nc(CNC(=O)c2ccc(CN3CCCC3)o2)cs1
InChIInChI=1S/C16H21N3O2S2/c1-22-11-15-18-12(10-23-15)8-17-16(20)14-5-4-13(21-14)9-19-6-2-3-7-19/h4-5,10H,2-3,6-9,11H2,1H3,(H,17,20)
InChIKeyWEMPYTRERWFJOX-UHFFFAOYSA-N
MW351.50 g/mol
LogP3.12
Rot. Bonds7

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

N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide (PubChem CID 74244576) has the molecular formula C16H21N3O2S2 and a molecular weight of 351.50 g/mol. Its IUPAC name is N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
PubChem CID74244576
Molecular FormulaC16H21N3O2S2
Molecular Weight351.50 g/mol
Exact Mass351.11
IUPAC NameN-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
SMILESCSCc1nc(CNC(=O)c2ccc(CN3CCCC3)o2)cs1
InChIInChI=1S/C16H21N3O2S2/c1-22-11-15-18-12(10-23-15)8-17-16(20)14-5-4-13(21-14)9-19-6-2-3-7-19/h4-5,10H,2-3,6-9,11H2,1H3,(H,17,20)
InChIKeyWEMPYTRERWFJOX-UHFFFAOYSA-N
XLogP3.12
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.50
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide with MolForge

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Related Compounds

N-[2-(4-ethyl-1,3-thiazol-2-yl)ethyl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
CID 118769180
2-[[[5-(methylsulfanylmethyl)furan-2-carbonyl]amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66381237
N-[(1-ethylpyrazol-3-yl)methyl]-5-(piperidin-1-ylmethyl)furan-2-carboxamide
CID 19416080
N-ethyl-5-(piperidin-1-ylmethyl)furan-2-carboxamide
CID 19416150
N-[(1-ethylpyrazol-4-yl)methyl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
CID 19414076
formic acid;N-[(6-oxo-1H-pyrimidin-4-yl)methyl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
CID 154912602
N-hexyl-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
CID 19414016
5-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]furan-2-carboxamide
CID 51087547
N-benzyl-5-[(4-benzylpiperazin-1-yl)methyl]furan-2-carboxamide
CID 46055527
5-bromo-N-[2-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-2-oxoethyl]furan-2-carboxamide
CID 56580342
N-[(4-chlorophenyl)methyl]-2-[2-(piperidin-1-ylmethyl)-1,3-thiazol-4-yl]acetamide
CID 110386851
5-methyl-N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 74245673

Frequently Asked Questions

What is the IUPAC name of N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide?
The IUPAC name of N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide (CID 74244576) is N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide.
What is the SMILES notation for N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide?
The canonical SMILES for N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide is CSCc1nc(CNC(=O)c2ccc(CN3CCCC3)o2)cs1.
What is the InChIKey of N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide?
The InChIKey is WEMPYTRERWFJOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2S2/c1-22-11-15-18-12(10-23-15)8-17-16(20)14-5-4-13(21-14)9-19-6-2-3-7-19/h4-5,10H,2-3,6-9,11H2,1H3,(H,17,20).
What are the key properties of N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide?
N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide has a molecular weight of 351.50 g/mol, XLogP of 3.12, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide is sourced from PubChem (CID 74244576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).