1-(2-methyltetrazol-5-yl)-3-(thian-4-yl)propan-2-one

C10H16N4OS — CID 107063286

IUPAC1-(2-methyltetrazol-5-yl)-3-(thian-4-yl)propan-2-one
SMILESCn1nnc(CC(=O)CC2CCSCC2)n1
InChIInChI=1S/C10H16N4OS/c1-14-12-10(11-13-14)7-9(15)6-8-2-4-16-5-3-8/h8H,2-7H2,1H3
InChIKeyDRTISWDXCLFZBT-UHFFFAOYSA-N
MW240.33 g/mol
LogP0.86
Rot. Bonds4

About 1-(2-methyltetrazol-5-yl)-3-(thian-4-yl)propan-2-one

1-(2-methyltetrazol-5-yl)-3-(thian-4-yl)propan-2-one (PubChem CID 107063286) has the molecular formula C10H16N4OS and a molecular weight of 240.33 g/mol. Its IUPAC name is 1-(2-methyltetrazol-5-yl)-3-(thian-4-yl)propan-2-one.

Molecular Properties

Compound Name1-(2-methyltetrazol-5-yl)-3-(thian-4-yl)propan-2-one
PubChem CID107063286
Molecular FormulaC10H16N4OS
Molecular Weight240.33 g/mol
Exact Mass240.10
IUPAC Name1-(2-methyltetrazol-5-yl)-3-(thian-4-yl)propan-2-one
SMILESCn1nnc(CC(=O)CC2CCSCC2)n1
InChIInChI=1S/C10H16N4OS/c1-14-12-10(11-13-14)7-9(15)6-8-2-4-16-5-3-8/h8H,2-7H2,1H3
InChIKeyDRTISWDXCLFZBT-UHFFFAOYSA-N
XLogP0.86
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-methyltetrazol-5-yl)-3-piperidin-4-ylpropan-2-one
CID 107061884
1-(azetidin-3-yl)-3-(2-methyltetrazol-5-yl)propan-2-one
CID 107062169
1-(1,3-dioxolan-2-yl)-3-(2-methyltetrazol-5-yl)propan-2-one
CID 107063454
1-(2-methyltetrazol-5-yl)-4-piperidin-4-ylbutan-2-one
CID 107061940
1-cyclopentyl-2-(2-methyltetrazol-5-yl)ethanone
CID 107046907
4-amino-1-(2-methyltetrazol-5-yl)pentan-2-one
CID 107061833
1-(2-methyltetrazol-5-yl)-3-morpholin-2-ylpropan-2-one
CID 107062212
1-(1-methylimidazol-2-yl)-3-(thian-4-yl)propan-2-one
CID 105116333
1-(dimethylamino)-3-(2-methyltetrazol-5-yl)propan-2-one
CID 107047263
1-cyclopropyl-3-(thian-4-yl)propan-2-one
CID 83137106
1-ethylsulfanyl-3-(2-methyltetrazol-5-yl)propan-2-one
CID 107047098
1-(1-methylindazol-3-yl)-3-(thian-4-yl)propan-2-one
CID 105111089

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyltetrazol-5-yl)-3-(thian-4-yl)propan-2-one?
The IUPAC name of 1-(2-methyltetrazol-5-yl)-3-(thian-4-yl)propan-2-one (CID 107063286) is 1-(2-methyltetrazol-5-yl)-3-(thian-4-yl)propan-2-one.
What is the SMILES notation for 1-(2-methyltetrazol-5-yl)-3-(thian-4-yl)propan-2-one?
The canonical SMILES for 1-(2-methyltetrazol-5-yl)-3-(thian-4-yl)propan-2-one is Cn1nnc(CC(=O)CC2CCSCC2)n1.
What is the InChIKey of 1-(2-methyltetrazol-5-yl)-3-(thian-4-yl)propan-2-one?
The InChIKey is DRTISWDXCLFZBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4OS/c1-14-12-10(11-13-14)7-9(15)6-8-2-4-16-5-3-8/h8H,2-7H2,1H3.
What are the key properties of 1-(2-methyltetrazol-5-yl)-3-(thian-4-yl)propan-2-one?
1-(2-methyltetrazol-5-yl)-3-(thian-4-yl)propan-2-one has a molecular weight of 240.33 g/mol, XLogP of 0.86, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyltetrazol-5-yl)-3-(thian-4-yl)propan-2-one is sourced from PubChem (CID 107063286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).