1,1-difluoro-3-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]propan-2-ol

C10H13F2N3OS — CID 103731523

IUPAC1,1-difluoro-3-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]propan-2-ol
SMILESCc1nc2sccn2c1CNCC(O)C(F)F
InChIInChI=1S/C10H13F2N3OS/c1-6-7(4-13-5-8(16)9(11)12)15-2-3-17-10(15)14-6/h2-3,8-9,13,16H,4-5H2,1H3
InChIKeyXJUGEMSIENNMRH-UHFFFAOYSA-N
MW261.30 g/mol
LogP1.42
Rot. Bonds5

About 1,1-difluoro-3-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]propan-2-ol

1,1-difluoro-3-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]propan-2-ol (PubChem CID 103731523) has the molecular formula C10H13F2N3OS and a molecular weight of 261.30 g/mol. Its IUPAC name is 1,1-difluoro-3-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]propan-2-ol.

Molecular Properties

Compound Name1,1-difluoro-3-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]propan-2-ol
PubChem CID103731523
Molecular FormulaC10H13F2N3OS
Molecular Weight261.30 g/mol
Exact Mass261.07
IUPAC Name1,1-difluoro-3-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]propan-2-ol
SMILESCc1nc2sccn2c1CNCC(O)C(F)F
InChIInChI=1S/C10H13F2N3OS/c1-6-7(4-13-5-8(16)9(11)12)15-2-3-17-10(15)14-6/h2-3,8-9,13,16H,4-5H2,1H3
InChIKeyXJUGEMSIENNMRH-UHFFFAOYSA-N
XLogP1.42
TPSA49.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-3-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]propan-2-ol?
The IUPAC name of 1,1-difluoro-3-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]propan-2-ol (CID 103731523) is 1,1-difluoro-3-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]propan-2-ol.
What is the SMILES notation for 1,1-difluoro-3-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]propan-2-ol?
The canonical SMILES for 1,1-difluoro-3-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]propan-2-ol is Cc1nc2sccn2c1CNCC(O)C(F)F.
What is the InChIKey of 1,1-difluoro-3-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]propan-2-ol?
The InChIKey is XJUGEMSIENNMRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2N3OS/c1-6-7(4-13-5-8(16)9(11)12)15-2-3-17-10(15)14-6/h2-3,8-9,13,16H,4-5H2,1H3.
What are the key properties of 1,1-difluoro-3-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]propan-2-ol?
1,1-difluoro-3-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]propan-2-ol has a molecular weight of 261.30 g/mol, XLogP of 1.42, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-3-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]propan-2-ol is sourced from PubChem (CID 103731523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).