2-[(1-phenyltetrazol-5-yl)methylsulfanyl]-4,5-dihydro-1,3-thiazole

C11H11N5S2 — CID 4894638

IUPAC2-[(1-phenyltetrazol-5-yl)methylsulfanyl]-4,5-dihydro-1,3-thiazole
SMILESc1ccc(-n2nnnc2CSC2=NCCS2)cc1
InChIInChI=1S/C11H11N5S2/c1-2-4-9(5-3-1)16-10(13-14-15-16)8-18-11-12-6-7-17-11/h1-5H,6-8H2
InChIKeyVPJIRWCOIPVKJN-UHFFFAOYSA-N
MW277.38 g/mol
LogP2.00
Rot. Bonds3

About 2-[(1-phenyltetrazol-5-yl)methylsulfanyl]-4,5-dihydro-1,3-thiazole

2-[(1-phenyltetrazol-5-yl)methylsulfanyl]-4,5-dihydro-1,3-thiazole (PubChem CID 4894638) has the molecular formula C11H11N5S2 and a molecular weight of 277.38 g/mol. Its IUPAC name is 2-[(1-phenyltetrazol-5-yl)methylsulfanyl]-4,5-dihydro-1,3-thiazole.

Molecular Properties

Compound Name2-[(1-phenyltetrazol-5-yl)methylsulfanyl]-4,5-dihydro-1,3-thiazole
PubChem CID4894638
Molecular FormulaC11H11N5S2
Molecular Weight277.38 g/mol
Exact Mass277.05
IUPAC Name2-[(1-phenyltetrazol-5-yl)methylsulfanyl]-4,5-dihydro-1,3-thiazole
SMILESc1ccc(-n2nnnc2CSC2=NCCS2)cc1
InChIInChI=1S/C11H11N5S2/c1-2-4-9(5-3-1)16-10(13-14-15-16)8-18-11-12-6-7-17-11/h1-5H,6-8H2
InChIKeyVPJIRWCOIPVKJN-UHFFFAOYSA-N
XLogP2.00
TPSA55.96 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.38
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-phenyl-5-[(1-phenyltetrazol-5-yl)methylsulfanyl]-1,3,4-thiadiazole-2-thione
CID 27715089
1-phenyl-5-[(1-phenyltetrazol-5-yl)methyl]tetrazole
CID 3090521
3-[(1-phenyltetrazol-5-yl)methylsulfanyl]phenol
CID 104590232
2-[(1-phenyltetrazol-5-yl)methylsulfanyl]ethanol
CID 43394593
5-bromo-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]pyridine
CID 47023498
[3-methyl-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]imidazol-4-yl]methanol
CID 66151702
3-chloro-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]aniline
CID 43304469
3-methyl-4-[(1-phenyltetrazol-5-yl)methylsulfanyl]aniline
CID 43302821
1-phenyl-5-[(5-phenyl-1H-imidazol-2-yl)sulfanylmethyl]tetrazole
CID 35040145
5-methyl-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]aniline
CID 43302280
3-[(1-phenyltetrazol-5-yl)methylsulfanyl]propanoic acid
CID 13208288
5-[[1-(3-chlorophenyl)imidazol-2-yl]sulfanylmethyl]-1-phenyltetrazole
CID 18131089

Frequently Asked Questions

What is the IUPAC name of 2-[(1-phenyltetrazol-5-yl)methylsulfanyl]-4,5-dihydro-1,3-thiazole?
The IUPAC name of 2-[(1-phenyltetrazol-5-yl)methylsulfanyl]-4,5-dihydro-1,3-thiazole (CID 4894638) is 2-[(1-phenyltetrazol-5-yl)methylsulfanyl]-4,5-dihydro-1,3-thiazole.
What is the SMILES notation for 2-[(1-phenyltetrazol-5-yl)methylsulfanyl]-4,5-dihydro-1,3-thiazole?
The canonical SMILES for 2-[(1-phenyltetrazol-5-yl)methylsulfanyl]-4,5-dihydro-1,3-thiazole is c1ccc(-n2nnnc2CSC2=NCCS2)cc1.
What is the InChIKey of 2-[(1-phenyltetrazol-5-yl)methylsulfanyl]-4,5-dihydro-1,3-thiazole?
The InChIKey is VPJIRWCOIPVKJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5S2/c1-2-4-9(5-3-1)16-10(13-14-15-16)8-18-11-12-6-7-17-11/h1-5H,6-8H2.
What are the key properties of 2-[(1-phenyltetrazol-5-yl)methylsulfanyl]-4,5-dihydro-1,3-thiazole?
2-[(1-phenyltetrazol-5-yl)methylsulfanyl]-4,5-dihydro-1,3-thiazole has a molecular weight of 277.38 g/mol, XLogP of 2.00, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-phenyltetrazol-5-yl)methylsulfanyl]-4,5-dihydro-1,3-thiazole is sourced from PubChem (CID 4894638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).