N-[2-[4-(4,5-dihydro-1,3-thiazol-2-ylamino)phenyl]ethyl]-4-methyl-1,3-benzothiazol-2-amine

C19H20N4S2 — CID 46879453

IUPACN-[2-[4-(4,5-dihydro-1,3-thiazol-2-ylamino)phenyl]ethyl]-4-methyl-1,3-benzothiazol-2-amine
SMILESCc1cccc2sc(NCCc3ccc(NC4=NCCS4)cc3)nc12
InChIInChI=1S/C19H20N4S2/c1-13-3-2-4-16-17(13)23-19(25-16)20-10-9-14-5-7-15(8-6-14)22-18-21-11-12-24-18/h2-8H,9-12H2,1H3,(H,20,23)(H,21,22)
InChIKeyJPYIAZNUEVMQGY-UHFFFAOYSA-N
MW368.53 g/mol
LogP4.77
Rot. Bonds5

About N-[2-[4-(4,5-dihydro-1,3-thiazol-2-ylamino)phenyl]ethyl]-4-methyl-1,3-benzothiazol-2-amine

N-[2-[4-(4,5-dihydro-1,3-thiazol-2-ylamino)phenyl]ethyl]-4-methyl-1,3-benzothiazol-2-amine (PubChem CID 46879453) has the molecular formula C19H20N4S2 and a molecular weight of 368.53 g/mol. Its IUPAC name is N-[2-[4-(4,5-dihydro-1,3-thiazol-2-ylamino)phenyl]ethyl]-4-methyl-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-[2-[4-(4,5-dihydro-1,3-thiazol-2-ylamino)phenyl]ethyl]-4-methyl-1,3-benzothiazol-2-amine
PubChem CID46879453
Molecular FormulaC19H20N4S2
Molecular Weight368.53 g/mol
Exact Mass368.11
IUPAC NameN-[2-[4-(4,5-dihydro-1,3-thiazol-2-ylamino)phenyl]ethyl]-4-methyl-1,3-benzothiazol-2-amine
SMILESCc1cccc2sc(NCCc3ccc(NC4=NCCS4)cc3)nc12
InChIInChI=1S/C19H20N4S2/c1-13-3-2-4-16-17(13)23-19(25-16)20-10-9-14-5-7-15(8-6-14)22-18-21-11-12-24-18/h2-8H,9-12H2,1H3,(H,20,23)(H,21,22)
InChIKeyJPYIAZNUEVMQGY-UHFFFAOYSA-N
XLogP4.77
TPSA49.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.53
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4,5-dihydro-1,3-thiazol-2-ylamino)phenyl]ethyl]-4-methyl-1,3-benzothiazol-2-amine?
The IUPAC name of N-[2-[4-(4,5-dihydro-1,3-thiazol-2-ylamino)phenyl]ethyl]-4-methyl-1,3-benzothiazol-2-amine (CID 46879453) is N-[2-[4-(4,5-dihydro-1,3-thiazol-2-ylamino)phenyl]ethyl]-4-methyl-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-[2-[4-(4,5-dihydro-1,3-thiazol-2-ylamino)phenyl]ethyl]-4-methyl-1,3-benzothiazol-2-amine?
The canonical SMILES for N-[2-[4-(4,5-dihydro-1,3-thiazol-2-ylamino)phenyl]ethyl]-4-methyl-1,3-benzothiazol-2-amine is Cc1cccc2sc(NCCc3ccc(NC4=NCCS4)cc3)nc12.
What is the InChIKey of N-[2-[4-(4,5-dihydro-1,3-thiazol-2-ylamino)phenyl]ethyl]-4-methyl-1,3-benzothiazol-2-amine?
The InChIKey is JPYIAZNUEVMQGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4S2/c1-13-3-2-4-16-17(13)23-19(25-16)20-10-9-14-5-7-15(8-6-14)22-18-21-11-12-24-18/h2-8H,9-12H2,1H3,(H,20,23)(H,21,22).
What are the key properties of N-[2-[4-(4,5-dihydro-1,3-thiazol-2-ylamino)phenyl]ethyl]-4-methyl-1,3-benzothiazol-2-amine?
N-[2-[4-(4,5-dihydro-1,3-thiazol-2-ylamino)phenyl]ethyl]-4-methyl-1,3-benzothiazol-2-amine has a molecular weight of 368.53 g/mol, XLogP of 4.77, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4,5-dihydro-1,3-thiazol-2-ylamino)phenyl]ethyl]-4-methyl-1,3-benzothiazol-2-amine is sourced from PubChem (CID 46879453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).