1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4,5-dihydro-3H-1,4-benzodiazepin-2-one

C15H14N4OS — CID 115334204

IUPAC1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4,5-dihydro-3H-1,4-benzodiazepin-2-one
SMILESO=C1CNCc2ccccc2N1Cc1cn2ccsc2n1
InChIInChI=1S/C15H14N4OS/c20-14-8-16-7-11-3-1-2-4-13(11)19(14)10-12-9-18-5-6-21-15(18)17-12/h1-6,9,16H,7-8,10H2
InChIKeyLVQHPDMORHHSNS-UHFFFAOYSA-N
MW298.37 g/mol
LogP2.03
Rot. Bonds2

About 1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4,5-dihydro-3H-1,4-benzodiazepin-2-one

1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4,5-dihydro-3H-1,4-benzodiazepin-2-one (PubChem CID 115334204) has the molecular formula C15H14N4OS and a molecular weight of 298.37 g/mol. Its IUPAC name is 1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4,5-dihydro-3H-1,4-benzodiazepin-2-one.

Molecular Properties

Compound Name1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4,5-dihydro-3H-1,4-benzodiazepin-2-one
PubChem CID115334204
Molecular FormulaC15H14N4OS
Molecular Weight298.37 g/mol
Exact Mass298.09
IUPAC Name1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4,5-dihydro-3H-1,4-benzodiazepin-2-one
SMILESO=C1CNCc2ccccc2N1Cc1cn2ccsc2n1
InChIInChI=1S/C15H14N4OS/c20-14-8-16-7-11-3-1-2-4-13(11)19(14)10-12-9-18-5-6-21-15(18)17-12/h1-6,9,16H,7-8,10H2
InChIKeyLVQHPDMORHHSNS-UHFFFAOYSA-N
XLogP2.03
TPSA49.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4,5-dihydro-3H-1,4-benzodiazepin-2-one?
The IUPAC name of 1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4,5-dihydro-3H-1,4-benzodiazepin-2-one (CID 115334204) is 1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4,5-dihydro-3H-1,4-benzodiazepin-2-one.
What is the SMILES notation for 1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4,5-dihydro-3H-1,4-benzodiazepin-2-one?
The canonical SMILES for 1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4,5-dihydro-3H-1,4-benzodiazepin-2-one is O=C1CNCc2ccccc2N1Cc1cn2ccsc2n1.
What is the InChIKey of 1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4,5-dihydro-3H-1,4-benzodiazepin-2-one?
The InChIKey is LVQHPDMORHHSNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4OS/c20-14-8-16-7-11-3-1-2-4-13(11)19(14)10-12-9-18-5-6-21-15(18)17-12/h1-6,9,16H,7-8,10H2.
What are the key properties of 1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4,5-dihydro-3H-1,4-benzodiazepin-2-one?
1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4,5-dihydro-3H-1,4-benzodiazepin-2-one has a molecular weight of 298.37 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4,5-dihydro-3H-1,4-benzodiazepin-2-one is sourced from PubChem (CID 115334204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).