2-(furan-2-yl)-4-[(2-methylquinazolin-4-yl)sulfanylmethyl]-1,3-thiazole

C17H13N3OS2 — CID 134056008

IUPAC2-(furan-2-yl)-4-[(2-methylquinazolin-4-yl)sulfanylmethyl]-1,3-thiazole
SMILESCc1nc(SCc2csc(-c3ccco3)n2)c2ccccc2n1
InChIInChI=1S/C17H13N3OS2/c1-11-18-14-6-3-2-5-13(14)16(19-11)22-9-12-10-23-17(20-12)15-7-4-8-21-15/h2-8,10H,9H2,1H3
InChIKeyBBPOYOHQVHCILA-UHFFFAOYSA-N
MW339.45 g/mol
LogP4.95
Rot. Bonds4

About 2-(furan-2-yl)-4-[(2-methylquinazolin-4-yl)sulfanylmethyl]-1,3-thiazole

2-(furan-2-yl)-4-[(2-methylquinazolin-4-yl)sulfanylmethyl]-1,3-thiazole (PubChem CID 134056008) has the molecular formula C17H13N3OS2 and a molecular weight of 339.45 g/mol. Its IUPAC name is 2-(furan-2-yl)-4-[(2-methylquinazolin-4-yl)sulfanylmethyl]-1,3-thiazole.

Molecular Properties

Compound Name2-(furan-2-yl)-4-[(2-methylquinazolin-4-yl)sulfanylmethyl]-1,3-thiazole
PubChem CID134056008
Molecular FormulaC17H13N3OS2
Molecular Weight339.45 g/mol
Exact Mass339.05
IUPAC Name2-(furan-2-yl)-4-[(2-methylquinazolin-4-yl)sulfanylmethyl]-1,3-thiazole
SMILESCc1nc(SCc2csc(-c3ccco3)n2)c2ccccc2n1
InChIInChI=1S/C17H13N3OS2/c1-11-18-14-6-3-2-5-13(14)16(19-11)22-9-12-10-23-17(20-12)15-7-4-8-21-15/h2-8,10H,9H2,1H3
InChIKeyBBPOYOHQVHCILA-UHFFFAOYSA-N
XLogP4.95
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.45
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-methoxyphenyl)-4-[(2-methylquinazolin-4-yl)sulfanylmethyl]-1,3-thiazole
CID 7146150
2-(furan-2-yl)-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1,3-thiazole
CID 47142123
2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3-benzoxazole
CID 32758499
2-(furan-2-yl)-4-[(1-oxidopyridin-1-ium-2-yl)sulfanylmethyl]-1,3-thiazole
CID 47141927
2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]ethanamine
CID 43249527
3-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]aniline
CID 79134488
1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]-4-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 32919428
N-benzyl-2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]acetamide
CID 38636174
2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]propan-1-amine
CID 66243923
N-(2-ethylphenyl)-N-[4-[(2-methylquinazolin-4-yl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide
CID 112774769
2-(3,5-dimethylphenyl)-5-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3,4-oxadiazole
CID 32904752
4-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]-2-(furan-2-yl)-1,3-thiazole
CID 31398044

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-4-[(2-methylquinazolin-4-yl)sulfanylmethyl]-1,3-thiazole?
The IUPAC name of 2-(furan-2-yl)-4-[(2-methylquinazolin-4-yl)sulfanylmethyl]-1,3-thiazole (CID 134056008) is 2-(furan-2-yl)-4-[(2-methylquinazolin-4-yl)sulfanylmethyl]-1,3-thiazole.
What is the SMILES notation for 2-(furan-2-yl)-4-[(2-methylquinazolin-4-yl)sulfanylmethyl]-1,3-thiazole?
The canonical SMILES for 2-(furan-2-yl)-4-[(2-methylquinazolin-4-yl)sulfanylmethyl]-1,3-thiazole is Cc1nc(SCc2csc(-c3ccco3)n2)c2ccccc2n1.
What is the InChIKey of 2-(furan-2-yl)-4-[(2-methylquinazolin-4-yl)sulfanylmethyl]-1,3-thiazole?
The InChIKey is BBPOYOHQVHCILA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3OS2/c1-11-18-14-6-3-2-5-13(14)16(19-11)22-9-12-10-23-17(20-12)15-7-4-8-21-15/h2-8,10H,9H2,1H3.
What are the key properties of 2-(furan-2-yl)-4-[(2-methylquinazolin-4-yl)sulfanylmethyl]-1,3-thiazole?
2-(furan-2-yl)-4-[(2-methylquinazolin-4-yl)sulfanylmethyl]-1,3-thiazole has a molecular weight of 339.45 g/mol, XLogP of 4.95, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-4-[(2-methylquinazolin-4-yl)sulfanylmethyl]-1,3-thiazole is sourced from PubChem (CID 134056008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).