(2S)-2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]-N-propylpropanamide

C14H18N2O2S2 — CID 94795933

IUPAC(2S)-2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]-N-propylpropanamide
SMILESCCCNC(=O)[C@H](C)SCc1csc(-c2ccco2)n1
InChIInChI=1S/C14H18N2O2S2/c1-3-6-15-13(17)10(2)19-8-11-9-20-14(16-11)12-5-4-7-18-12/h4-5,7,9-10H,3,6,8H2,1-2H3,(H,15,17)/t10-/m0/s1
InChIKeyUGFIJOGPLYZGMK-JTQLQIEISA-N
MW310.44 g/mol
LogP3.55
Rot. Bonds7

About (2S)-2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]-N-propylpropanamide

(2S)-2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]-N-propylpropanamide (PubChem CID 94795933) has the molecular formula C14H18N2O2S2 and a molecular weight of 310.44 g/mol. Its IUPAC name is (2S)-2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]-N-propylpropanamide.

Molecular Properties

Compound Name(2S)-2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]-N-propylpropanamide
PubChem CID94795933
Molecular FormulaC14H18N2O2S2
Molecular Weight310.44 g/mol
Exact Mass310.08
IUPAC Name(2S)-2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]-N-propylpropanamide
SMILESCCCNC(=O)[C@H](C)SCc1csc(-c2ccco2)n1
InChIInChI=1S/C14H18N2O2S2/c1-3-6-15-13(17)10(2)19-8-11-9-20-14(16-11)12-5-4-7-18-12/h4-5,7,9-10H,3,6,8H2,1-2H3,(H,15,17)/t10-/m0/s1
InChIKeyUGFIJOGPLYZGMK-JTQLQIEISA-N
XLogP3.55
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]propanamide
CID 55570614
2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]propan-1-amine
CID 66243923
2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]-N-methylacetamide
CID 38636430
2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]-N-[(1S)-1-phenylethyl]acetamide
CID 38636231
2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetohydrazide
CID 43132204
2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetic acid
CID 7176378
2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl-propan-2-ylamino]acetamide
CID 86917359
4,4-difluoro-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]cyclohexane-1-carboxamide
CID 122156451
N-benzyl-2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]acetamide
CID 38636174
N-[(1R)-1-(2-chlorophenyl)ethyl]-2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]acetamide
CID 38636574
2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylsulfanyl]propanoic acid
CID 43241616
(2R)-2-[[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetyl]amino]-3-methylbutanoic acid
CID 79009387

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]-N-propylpropanamide?
The IUPAC name of (2S)-2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]-N-propylpropanamide (CID 94795933) is (2S)-2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]-N-propylpropanamide.
What is the SMILES notation for (2S)-2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]-N-propylpropanamide?
The canonical SMILES for (2S)-2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]-N-propylpropanamide is CCCNC(=O)[C@H](C)SCc1csc(-c2ccco2)n1.
What is the InChIKey of (2S)-2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]-N-propylpropanamide?
The InChIKey is UGFIJOGPLYZGMK-JTQLQIEISA-N. The full InChI is InChI=1S/C14H18N2O2S2/c1-3-6-15-13(17)10(2)19-8-11-9-20-14(16-11)12-5-4-7-18-12/h4-5,7,9-10H,3,6,8H2,1-2H3,(H,15,17)/t10-/m0/s1.
What are the key properties of (2S)-2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]-N-propylpropanamide?
(2S)-2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]-N-propylpropanamide has a molecular weight of 310.44 g/mol, XLogP of 3.55, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]-N-propylpropanamide is sourced from PubChem (CID 94795933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).