2-[4-(8-fluoro-2-methyl-10H-thieno[2,3-b][1,5]benzodiazepin-4-yl)piperazin-2-yl]ethanol

C18H21FN4OS — CID 69215018

IUPAC2-[4-(8-fluoro-2-methyl-10H-thieno[2,3-b][1,5]benzodiazepin-4-yl)piperazin-2-yl]ethanol
SMILESCc1cc2c(s1)Nc1cc(F)ccc1N=C2N1CCNC(CCO)C1
InChIInChI=1S/C18H21FN4OS/c1-11-8-14-17(23-6-5-20-13(10-23)4-7-24)21-15-3-2-12(19)9-16(15)22-18(14)25-11/h2-3,8-9,13,20,22,24H,4-7,10H2,1H3
InChIKeyADNUMYVATZZYNH-UHFFFAOYSA-N
MW360.46 g/mol
LogP2.99
Rot. Bonds2

About 2-[4-(8-fluoro-2-methyl-10H-thieno[2,3-b][1,5]benzodiazepin-4-yl)piperazin-2-yl]ethanol

2-[4-(8-fluoro-2-methyl-10H-thieno[2,3-b][1,5]benzodiazepin-4-yl)piperazin-2-yl]ethanol (PubChem CID 69215018) has the molecular formula C18H21FN4OS and a molecular weight of 360.46 g/mol. Its IUPAC name is 2-[4-(8-fluoro-2-methyl-10H-thieno[2,3-b][1,5]benzodiazepin-4-yl)piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[4-(8-fluoro-2-methyl-10H-thieno[2,3-b][1,5]benzodiazepin-4-yl)piperazin-2-yl]ethanol
PubChem CID69215018
Molecular FormulaC18H21FN4OS
Molecular Weight360.46 g/mol
Exact Mass360.14
IUPAC Name2-[4-(8-fluoro-2-methyl-10H-thieno[2,3-b][1,5]benzodiazepin-4-yl)piperazin-2-yl]ethanol
SMILESCc1cc2c(s1)Nc1cc(F)ccc1N=C2N1CCNC(CCO)C1
InChIInChI=1S/C18H21FN4OS/c1-11-8-14-17(23-6-5-20-13(10-23)4-7-24)21-15-3-2-12(19)9-16(15)22-18(14)25-11/h2-3,8-9,13,20,22,24H,4-7,10H2,1H3
InChIKeyADNUMYVATZZYNH-UHFFFAOYSA-N
XLogP2.99
TPSA59.89 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 52.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(8-fluoro-2-methyl-10H-thieno[2,3-b][1,5]benzodiazepin-4-yl)piperazin-2-yl]ethanol?
The IUPAC name of 2-[4-(8-fluoro-2-methyl-10H-thieno[2,3-b][1,5]benzodiazepin-4-yl)piperazin-2-yl]ethanol (CID 69215018) is 2-[4-(8-fluoro-2-methyl-10H-thieno[2,3-b][1,5]benzodiazepin-4-yl)piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[4-(8-fluoro-2-methyl-10H-thieno[2,3-b][1,5]benzodiazepin-4-yl)piperazin-2-yl]ethanol?
The canonical SMILES for 2-[4-(8-fluoro-2-methyl-10H-thieno[2,3-b][1,5]benzodiazepin-4-yl)piperazin-2-yl]ethanol is Cc1cc2c(s1)Nc1cc(F)ccc1N=C2N1CCNC(CCO)C1.
What is the InChIKey of 2-[4-(8-fluoro-2-methyl-10H-thieno[2,3-b][1,5]benzodiazepin-4-yl)piperazin-2-yl]ethanol?
The InChIKey is ADNUMYVATZZYNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4OS/c1-11-8-14-17(23-6-5-20-13(10-23)4-7-24)21-15-3-2-12(19)9-16(15)22-18(14)25-11/h2-3,8-9,13,20,22,24H,4-7,10H2,1H3.
What are the key properties of 2-[4-(8-fluoro-2-methyl-10H-thieno[2,3-b][1,5]benzodiazepin-4-yl)piperazin-2-yl]ethanol?
2-[4-(8-fluoro-2-methyl-10H-thieno[2,3-b][1,5]benzodiazepin-4-yl)piperazin-2-yl]ethanol has a molecular weight of 360.46 g/mol, XLogP of 2.99, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(8-fluoro-2-methyl-10H-thieno[2,3-b][1,5]benzodiazepin-4-yl)piperazin-2-yl]ethanol is sourced from PubChem (CID 69215018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).