2-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-methylamino]-1-cyclopropylethanol

C16H17ClN4OS — CID 133494301

IUPAC2-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-methylamino]-1-cyclopropylethanol
SMILESCN(CC(O)C1CC1)c1nn2cc(-c3ccc(Cl)cc3)nc2s1
InChIInChI=1S/C16H17ClN4OS/c1-20(9-14(22)11-2-3-11)16-19-21-8-13(18-15(21)23-16)10-4-6-12(17)7-5-10/h4-8,11,14,22H,2-3,9H2,1H3
InChIKeyJPWQEANXPCSGRF-UHFFFAOYSA-N
MW348.86 g/mol
LogP3.32
Rot. Bonds5

About 2-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-methylamino]-1-cyclopropylethanol

2-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-methylamino]-1-cyclopropylethanol (PubChem CID 133494301) has the molecular formula C16H17ClN4OS and a molecular weight of 348.86 g/mol. Its IUPAC name is 2-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-methylamino]-1-cyclopropylethanol.

Molecular Properties

Compound Name2-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-methylamino]-1-cyclopropylethanol
PubChem CID133494301
Molecular FormulaC16H17ClN4OS
Molecular Weight348.86 g/mol
Exact Mass348.08
IUPAC Name2-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-methylamino]-1-cyclopropylethanol
SMILESCN(CC(O)C1CC1)c1nn2cc(-c3ccc(Cl)cc3)nc2s1
InChIInChI=1S/C16H17ClN4OS/c1-20(9-14(22)11-2-3-11)16-19-21-8-13(18-15(21)23-16)10-4-6-12(17)7-5-10/h4-8,11,14,22H,2-3,9H2,1H3
InChIKeyJPWQEANXPCSGRF-UHFFFAOYSA-N
XLogP3.32
TPSA53.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.86
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-methylamino]-1-cyclopropylethanol?
The IUPAC name of 2-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-methylamino]-1-cyclopropylethanol (CID 133494301) is 2-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-methylamino]-1-cyclopropylethanol.
What is the SMILES notation for 2-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-methylamino]-1-cyclopropylethanol?
The canonical SMILES for 2-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-methylamino]-1-cyclopropylethanol is CN(CC(O)C1CC1)c1nn2cc(-c3ccc(Cl)cc3)nc2s1.
What is the InChIKey of 2-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-methylamino]-1-cyclopropylethanol?
The InChIKey is JPWQEANXPCSGRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN4OS/c1-20(9-14(22)11-2-3-11)16-19-21-8-13(18-15(21)23-16)10-4-6-12(17)7-5-10/h4-8,11,14,22H,2-3,9H2,1H3.
What are the key properties of 2-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-methylamino]-1-cyclopropylethanol?
2-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-methylamino]-1-cyclopropylethanol has a molecular weight of 348.86 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-methylamino]-1-cyclopropylethanol is sourced from PubChem (CID 133494301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).