N-[2-[4-[(5-methoxy-4,5-dihydro-1,3-thiazol-2-yl)amino]phenyl]ethyl]-1,3-benzothiazol-2-amine

C19H20N4OS2 — CID 46879737

IUPACN-[2-[4-[(5-methoxy-4,5-dihydro-1,3-thiazol-2-yl)amino]phenyl]ethyl]-1,3-benzothiazol-2-amine
SMILESCOC1CN=C(Nc2ccc(CCNc3nc4ccccc4s3)cc2)S1
InChIInChI=1S/C19H20N4OS2/c1-24-17-12-21-19(26-17)22-14-8-6-13(7-9-14)10-11-20-18-23-15-4-2-3-5-16(15)25-18/h2-9,17H,10-12H2,1H3,(H,20,23)(H,21,22)
InChIKeyUDTBAIAPAQCENG-UHFFFAOYSA-N
MW384.53 g/mol
LogP4.44
Rot. Bonds6

About N-[2-[4-[(5-methoxy-4,5-dihydro-1,3-thiazol-2-yl)amino]phenyl]ethyl]-1,3-benzothiazol-2-amine

N-[2-[4-[(5-methoxy-4,5-dihydro-1,3-thiazol-2-yl)amino]phenyl]ethyl]-1,3-benzothiazol-2-amine (PubChem CID 46879737) has the molecular formula C19H20N4OS2 and a molecular weight of 384.53 g/mol. Its IUPAC name is N-[2-[4-[(5-methoxy-4,5-dihydro-1,3-thiazol-2-yl)amino]phenyl]ethyl]-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-[2-[4-[(5-methoxy-4,5-dihydro-1,3-thiazol-2-yl)amino]phenyl]ethyl]-1,3-benzothiazol-2-amine
PubChem CID46879737
Molecular FormulaC19H20N4OS2
Molecular Weight384.53 g/mol
Exact Mass384.11
IUPAC NameN-[2-[4-[(5-methoxy-4,5-dihydro-1,3-thiazol-2-yl)amino]phenyl]ethyl]-1,3-benzothiazol-2-amine
SMILESCOC1CN=C(Nc2ccc(CCNc3nc4ccccc4s3)cc2)S1
InChIInChI=1S/C19H20N4OS2/c1-24-17-12-21-19(26-17)22-14-8-6-13(7-9-14)10-11-20-18-23-15-4-2-3-5-16(15)25-18/h2-9,17H,10-12H2,1H3,(H,20,23)(H,21,22)
InChIKeyUDTBAIAPAQCENG-UHFFFAOYSA-N
XLogP4.44
TPSA58.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.53
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[(5-methoxy-4,5-dihydro-1,3-thiazol-2-yl)amino]phenyl]ethyl]-1,3-benzothiazol-2-amine?
The IUPAC name of N-[2-[4-[(5-methoxy-4,5-dihydro-1,3-thiazol-2-yl)amino]phenyl]ethyl]-1,3-benzothiazol-2-amine (CID 46879737) is N-[2-[4-[(5-methoxy-4,5-dihydro-1,3-thiazol-2-yl)amino]phenyl]ethyl]-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-[2-[4-[(5-methoxy-4,5-dihydro-1,3-thiazol-2-yl)amino]phenyl]ethyl]-1,3-benzothiazol-2-amine?
The canonical SMILES for N-[2-[4-[(5-methoxy-4,5-dihydro-1,3-thiazol-2-yl)amino]phenyl]ethyl]-1,3-benzothiazol-2-amine is COC1CN=C(Nc2ccc(CCNc3nc4ccccc4s3)cc2)S1.
What is the InChIKey of N-[2-[4-[(5-methoxy-4,5-dihydro-1,3-thiazol-2-yl)amino]phenyl]ethyl]-1,3-benzothiazol-2-amine?
The InChIKey is UDTBAIAPAQCENG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4OS2/c1-24-17-12-21-19(26-17)22-14-8-6-13(7-9-14)10-11-20-18-23-15-4-2-3-5-16(15)25-18/h2-9,17H,10-12H2,1H3,(H,20,23)(H,21,22).
What are the key properties of N-[2-[4-[(5-methoxy-4,5-dihydro-1,3-thiazol-2-yl)amino]phenyl]ethyl]-1,3-benzothiazol-2-amine?
N-[2-[4-[(5-methoxy-4,5-dihydro-1,3-thiazol-2-yl)amino]phenyl]ethyl]-1,3-benzothiazol-2-amine has a molecular weight of 384.53 g/mol, XLogP of 4.44, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[(5-methoxy-4,5-dihydro-1,3-thiazol-2-yl)amino]phenyl]ethyl]-1,3-benzothiazol-2-amine is sourced from PubChem (CID 46879737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).