2-(2,3-dihydro-1-benzofuran-5-yl)-3-(3-propylsulfanyl-1H-1,2,4-triazol-5-yl)-2H-1,3-thiazole

C16H18N4OS2 — CID 141437779

IUPAC2-(2,3-dihydro-1-benzofuran-5-yl)-3-(3-propylsulfanyl-1H-1,2,4-triazol-5-yl)-2H-1,3-thiazole
SMILESCCCSc1n[nH]c(N2C=CSC2c2ccc3c(c2)CCO3)n1
InChIInChI=1S/C16H18N4OS2/c1-2-8-23-16-17-15(18-19-16)20-6-9-22-14(20)12-3-4-13-11(10-12)5-7-21-13/h3-4,6,9-10,14H,2,5,7-8H2,1H3,(H,17,18,19)
InChIKeyWSKYEOJOXTUKBM-UHFFFAOYSA-N
MW346.48 g/mol
LogP3.96
Rot. Bonds5

About 2-(2,3-dihydro-1-benzofuran-5-yl)-3-(3-propylsulfanyl-1H-1,2,4-triazol-5-yl)-2H-1,3-thiazole

2-(2,3-dihydro-1-benzofuran-5-yl)-3-(3-propylsulfanyl-1H-1,2,4-triazol-5-yl)-2H-1,3-thiazole (PubChem CID 141437779) has the molecular formula C16H18N4OS2 and a molecular weight of 346.48 g/mol. Its IUPAC name is 2-(2,3-dihydro-1-benzofuran-5-yl)-3-(3-propylsulfanyl-1H-1,2,4-triazol-5-yl)-2H-1,3-thiazole.

Molecular Properties

Compound Name2-(2,3-dihydro-1-benzofuran-5-yl)-3-(3-propylsulfanyl-1H-1,2,4-triazol-5-yl)-2H-1,3-thiazole
PubChem CID141437779
Molecular FormulaC16H18N4OS2
Molecular Weight346.48 g/mol
Exact Mass346.09
IUPAC Name2-(2,3-dihydro-1-benzofuran-5-yl)-3-(3-propylsulfanyl-1H-1,2,4-triazol-5-yl)-2H-1,3-thiazole
SMILESCCCSc1n[nH]c(N2C=CSC2c2ccc3c(c2)CCO3)n1
InChIInChI=1S/C16H18N4OS2/c1-2-8-23-16-17-15(18-19-16)20-6-9-22-14(20)12-3-4-13-11(10-12)5-7-21-13/h3-4,6,9-10,14H,2,5,7-8H2,1H3,(H,17,18,19)
InChIKeyWSKYEOJOXTUKBM-UHFFFAOYSA-N
XLogP3.96
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2,3-dihydro-1-benzofuran-5-yl)-3-[4-(trifluoromethyl)-1H-benzimidazol-2-yl]-2H-1,3-thiazole
CID 141437771
[3-[2-(2,3-dihydro-1-benzofuran-5-yl)-2H-1,3-thiazol-3-yl]-1H-1,2,4-triazol-5-yl]-morpholin-4-ylmethanone
CID 141437777
3-butyl-2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazolidin-4-one
CID 3718539
5-cyclohexyl-2,3-dihydro-1-benzofuran
CID 150562442
(2S)-2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazolidine
CID 129367473
4-(2,3-dihydro-1-benzofuran-5-yl)-1-ethylimidazolidin-2-one
CID 116981042
2-(2,3-dihydro-1-benzofuran-5-yl)-3-(3-propoxypropyl)-1,3-thiazolidin-4-one
CID 3697497
2-(2,3-dihydro-1-benzofuran-5-yl)-5-methyl-1,3-thiazolidine
CID 66244533
4-(2,3-dihydro-1-benzofuran-5-yl)-3-methyl-2-propyl-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one
CID 169418395
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-propylazetidin-3-amine
CID 66181570
(2S)-2-(2,3-dihydro-1-benzofuran-5-yl)azetidine;hydrochloride
CID 171196730
N-[(4-cyclopropylphenyl)methyl]-2,3-dihydro-1-benzofuran-5-amine
CID 79969298

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1-benzofuran-5-yl)-3-(3-propylsulfanyl-1H-1,2,4-triazol-5-yl)-2H-1,3-thiazole?
The IUPAC name of 2-(2,3-dihydro-1-benzofuran-5-yl)-3-(3-propylsulfanyl-1H-1,2,4-triazol-5-yl)-2H-1,3-thiazole (CID 141437779) is 2-(2,3-dihydro-1-benzofuran-5-yl)-3-(3-propylsulfanyl-1H-1,2,4-triazol-5-yl)-2H-1,3-thiazole.
What is the SMILES notation for 2-(2,3-dihydro-1-benzofuran-5-yl)-3-(3-propylsulfanyl-1H-1,2,4-triazol-5-yl)-2H-1,3-thiazole?
The canonical SMILES for 2-(2,3-dihydro-1-benzofuran-5-yl)-3-(3-propylsulfanyl-1H-1,2,4-triazol-5-yl)-2H-1,3-thiazole is CCCSc1n[nH]c(N2C=CSC2c2ccc3c(c2)CCO3)n1.
What is the InChIKey of 2-(2,3-dihydro-1-benzofuran-5-yl)-3-(3-propylsulfanyl-1H-1,2,4-triazol-5-yl)-2H-1,3-thiazole?
The InChIKey is WSKYEOJOXTUKBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4OS2/c1-2-8-23-16-17-15(18-19-16)20-6-9-22-14(20)12-3-4-13-11(10-12)5-7-21-13/h3-4,6,9-10,14H,2,5,7-8H2,1H3,(H,17,18,19).
What are the key properties of 2-(2,3-dihydro-1-benzofuran-5-yl)-3-(3-propylsulfanyl-1H-1,2,4-triazol-5-yl)-2H-1,3-thiazole?
2-(2,3-dihydro-1-benzofuran-5-yl)-3-(3-propylsulfanyl-1H-1,2,4-triazol-5-yl)-2H-1,3-thiazole has a molecular weight of 346.48 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1-benzofuran-5-yl)-3-(3-propylsulfanyl-1H-1,2,4-triazol-5-yl)-2H-1,3-thiazole is sourced from PubChem (CID 141437779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).