2-(2-methylfuran-3-yl)sulfanyl-N-[4-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-yl]acetamide

C15H19N3O2S2 — CID 86799147

IUPAC2-(2-methylfuran-3-yl)sulfanyl-N-[4-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-yl]acetamide
SMILESCc1occc1SCC(=O)Nc1nc(CN2CCCC2)cs1
InChIInChI=1S/C15H19N3O2S2/c1-11-13(4-7-20-11)21-10-14(19)17-15-16-12(9-22-15)8-18-5-2-3-6-18/h4,7,9H,2-3,5-6,8,10H2,1H3,(H,16,17,19)
InChIKeySZOYVMOEFWIEHC-UHFFFAOYSA-N
MW337.47 g/mol
LogP3.37
Rot. Bonds6

About 2-(2-methylfuran-3-yl)sulfanyl-N-[4-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-yl]acetamide

2-(2-methylfuran-3-yl)sulfanyl-N-[4-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 86799147) has the molecular formula C15H19N3O2S2 and a molecular weight of 337.47 g/mol. Its IUPAC name is 2-(2-methylfuran-3-yl)sulfanyl-N-[4-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(2-methylfuran-3-yl)sulfanyl-N-[4-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-yl]acetamide
PubChem CID86799147
Molecular FormulaC15H19N3O2S2
Molecular Weight337.47 g/mol
Exact Mass337.09
IUPAC Name2-(2-methylfuran-3-yl)sulfanyl-N-[4-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-yl]acetamide
SMILESCc1occc1SCC(=O)Nc1nc(CN2CCCC2)cs1
InChIInChI=1S/C15H19N3O2S2/c1-11-13(4-7-20-11)21-10-14(19)17-15-16-12(9-22-15)8-18-5-2-3-6-18/h4,7,9H,2-3,5-6,8,10H2,1H3,(H,16,17,19)
InChIKeySZOYVMOEFWIEHC-UHFFFAOYSA-N
XLogP3.37
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(azepan-1-ylmethyl)-1,3-thiazol-2-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 75498849
2-methyl-N-[2-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]furan-3-carboxamide
CID 87012891
2-(4-chlorophenyl)sulfanyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]acetamide
CID 78776000
N-[4-[2-oxo-2-[[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]amino]ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 46699089
2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]acetamide
CID 55335910
2-amino-2-(4-methylphenyl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]acetamide;dihydrochloride
CID 120669325
(2R)-2-amino-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propanamide
CID 119830474
2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]acetamide
CID 146127731
4-methyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]pentanamide
CID 47106209
2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]acetamide
CID 29329510
2-[4-(difluoromethoxy)phenyl]-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]acetamide
CID 30183810
2-(5-methoxy-2-pyridinyl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]acetamide
CID 122132280

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylfuran-3-yl)sulfanyl-N-[4-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-(2-methylfuran-3-yl)sulfanyl-N-[4-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-yl]acetamide (CID 86799147) is 2-(2-methylfuran-3-yl)sulfanyl-N-[4-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-(2-methylfuran-3-yl)sulfanyl-N-[4-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-(2-methylfuran-3-yl)sulfanyl-N-[4-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-yl]acetamide is Cc1occc1SCC(=O)Nc1nc(CN2CCCC2)cs1.
What is the InChIKey of 2-(2-methylfuran-3-yl)sulfanyl-N-[4-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is SZOYVMOEFWIEHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S2/c1-11-13(4-7-20-11)21-10-14(19)17-15-16-12(9-22-15)8-18-5-2-3-6-18/h4,7,9H,2-3,5-6,8,10H2,1H3,(H,16,17,19).
What are the key properties of 2-(2-methylfuran-3-yl)sulfanyl-N-[4-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-yl]acetamide?
2-(2-methylfuran-3-yl)sulfanyl-N-[4-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 337.47 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylfuran-3-yl)sulfanyl-N-[4-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 86799147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).