[2-[2-(2-methylpropylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]phenyl]methanol

C15H18N4OS — CID 58285502

IUPAC[2-[2-(2-methylpropylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]phenyl]methanol
SMILESCC(C)CNc1nn2c(-c3ccccc3CO)cnc2s1
InChIInChI=1S/C15H18N4OS/c1-10(2)7-16-14-18-19-13(8-17-15(19)21-14)12-6-4-3-5-11(12)9-20/h3-6,8,10,20H,7,9H2,1-2H3,(H,16,18)
InChIKeyQMTQSORXISUIAG-UHFFFAOYSA-N
MW302.40 g/mol
LogP3.02
Rot. Bonds5

About [2-[2-(2-methylpropylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]phenyl]methanol

[2-[2-(2-methylpropylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]phenyl]methanol (PubChem CID 58285502) has the molecular formula C15H18N4OS and a molecular weight of 302.40 g/mol. Its IUPAC name is [2-[2-(2-methylpropylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]phenyl]methanol.

Molecular Properties

Compound Name[2-[2-(2-methylpropylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]phenyl]methanol
PubChem CID58285502
Molecular FormulaC15H18N4OS
Molecular Weight302.40 g/mol
Exact Mass302.12
IUPAC Name[2-[2-(2-methylpropylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]phenyl]methanol
SMILESCC(C)CNc1nn2c(-c3ccccc3CO)cnc2s1
InChIInChI=1S/C15H18N4OS/c1-10(2)7-16-14-18-19-13(8-17-15(19)21-14)12-6-4-3-5-11(12)9-20/h3-6,8,10,20H,7,9H2,1-2H3,(H,16,18)
InChIKeyQMTQSORXISUIAG-UHFFFAOYSA-N
XLogP3.02
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-[2-(2-methylpropylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]phenyl]methanol?
The IUPAC name of [2-[2-(2-methylpropylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]phenyl]methanol (CID 58285502) is [2-[2-(2-methylpropylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]phenyl]methanol.
What is the SMILES notation for [2-[2-(2-methylpropylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]phenyl]methanol?
The canonical SMILES for [2-[2-(2-methylpropylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]phenyl]methanol is CC(C)CNc1nn2c(-c3ccccc3CO)cnc2s1.
What is the InChIKey of [2-[2-(2-methylpropylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]phenyl]methanol?
The InChIKey is QMTQSORXISUIAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4OS/c1-10(2)7-16-14-18-19-13(8-17-15(19)21-14)12-6-4-3-5-11(12)9-20/h3-6,8,10,20H,7,9H2,1-2H3,(H,16,18).
What are the key properties of [2-[2-(2-methylpropylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]phenyl]methanol?
[2-[2-(2-methylpropylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]phenyl]methanol has a molecular weight of 302.40 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(2-methylpropylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]phenyl]methanol is sourced from PubChem (CID 58285502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).