[2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]quinolin-3-yl]methanol

C14H14N4OS2 — CID 63814019

IUPAC[2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]quinolin-3-yl]methanol
SMILESCN(C)c1nnc(Sc2nc3ccccc3cc2CO)s1
InChIInChI=1S/C14H14N4OS2/c1-18(2)13-16-17-14(21-13)20-12-10(8-19)7-9-5-3-4-6-11(9)15-12/h3-7,19H,8H2,1-2H3
InChIKeyCFMAIHHTPMVQIH-UHFFFAOYSA-N
MW318.43 g/mol
LogP2.80
Rot. Bonds4

About [2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]quinolin-3-yl]methanol

[2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]quinolin-3-yl]methanol (PubChem CID 63814019) has the molecular formula C14H14N4OS2 and a molecular weight of 318.43 g/mol. Its IUPAC name is [2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]quinolin-3-yl]methanol.

Molecular Properties

Compound Name[2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]quinolin-3-yl]methanol
PubChem CID63814019
Molecular FormulaC14H14N4OS2
Molecular Weight318.43 g/mol
Exact Mass318.06
IUPAC Name[2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]quinolin-3-yl]methanol
SMILESCN(C)c1nnc(Sc2nc3ccccc3cc2CO)s1
InChIInChI=1S/C14H14N4OS2/c1-18(2)13-16-17-14(21-13)20-12-10(8-19)7-9-5-3-4-6-11(9)15-12/h3-7,19H,8H2,1-2H3
InChIKeyCFMAIHHTPMVQIH-UHFFFAOYSA-N
XLogP2.80
TPSA62.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.43
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]quinolin-3-yl]methanol?
The IUPAC name of [2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]quinolin-3-yl]methanol (CID 63814019) is [2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]quinolin-3-yl]methanol.
What is the SMILES notation for [2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]quinolin-3-yl]methanol?
The canonical SMILES for [2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]quinolin-3-yl]methanol is CN(C)c1nnc(Sc2nc3ccccc3cc2CO)s1.
What is the InChIKey of [2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]quinolin-3-yl]methanol?
The InChIKey is CFMAIHHTPMVQIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4OS2/c1-18(2)13-16-17-14(21-13)20-12-10(8-19)7-9-5-3-4-6-11(9)15-12/h3-7,19H,8H2,1-2H3.
What are the key properties of [2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]quinolin-3-yl]methanol?
[2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]quinolin-3-yl]methanol has a molecular weight of 318.43 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]quinolin-3-yl]methanol is sourced from PubChem (CID 63814019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).