N-[(Z)-2-[1-(benzylamino)ethenylsulfanyl]but-2-enyl]-4-thiophen-2-yl-1,3-thiazol-2-amine

C20H21N3S3 — CID 143676407

IUPACN-[(Z)-2-[1-(benzylamino)ethenylsulfanyl]but-2-enyl]-4-thiophen-2-yl-1,3-thiazol-2-amine
SMILESC=C(NCc1ccccc1)S/C(=C\C)CNc1nc(-c2cccs2)cs1
InChIInChI=1S/C20H21N3S3/c1-3-17(26-15(2)21-12-16-8-5-4-6-9-16)13-22-20-23-18(14-25-20)19-10-7-11-24-19/h3-11,14,21H,2,12-13H2,1H3,(H,22,23)/b17-3-
InChIKeyDMZISNABXNUQOZ-YPEHOIGNSA-N
MW399.61 g/mol
LogP6.18
Rot. Bonds9

About N-[(Z)-2-[1-(benzylamino)ethenylsulfanyl]but-2-enyl]-4-thiophen-2-yl-1,3-thiazol-2-amine

N-[(Z)-2-[1-(benzylamino)ethenylsulfanyl]but-2-enyl]-4-thiophen-2-yl-1,3-thiazol-2-amine (PubChem CID 143676407) has the molecular formula C20H21N3S3 and a molecular weight of 399.61 g/mol. Its IUPAC name is N-[(Z)-2-[1-(benzylamino)ethenylsulfanyl]but-2-enyl]-4-thiophen-2-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(Z)-2-[1-(benzylamino)ethenylsulfanyl]but-2-enyl]-4-thiophen-2-yl-1,3-thiazol-2-amine
PubChem CID143676407
Molecular FormulaC20H21N3S3
Molecular Weight399.61 g/mol
Exact Mass399.09
IUPAC NameN-[(Z)-2-[1-(benzylamino)ethenylsulfanyl]but-2-enyl]-4-thiophen-2-yl-1,3-thiazol-2-amine
SMILESC=C(NCc1ccccc1)S/C(=C\C)CNc1nc(-c2cccs2)cs1
InChIInChI=1S/C20H21N3S3/c1-3-17(26-15(2)21-12-16-8-5-4-6-9-16)13-22-20-23-18(14-25-20)19-10-7-11-24-19/h3-11,14,21H,2,12-13H2,1H3,(H,22,23)/b17-3-
InChIKeyDMZISNABXNUQOZ-YPEHOIGNSA-N
XLogP6.18
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.61
LogP ≤ 56.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(Z)-2-[1-(benzylamino)ethenylsulfanyl]but-2-enyl]-4-thiophen-2-yl-1,3-thiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-2-[1-(benzylamino)ethenylsulfanyl]but-2-enyl]-4-thiophen-2-yl-1,3-thiazol-2-amine?
The IUPAC name of N-[(Z)-2-[1-(benzylamino)ethenylsulfanyl]but-2-enyl]-4-thiophen-2-yl-1,3-thiazol-2-amine (CID 143676407) is N-[(Z)-2-[1-(benzylamino)ethenylsulfanyl]but-2-enyl]-4-thiophen-2-yl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(Z)-2-[1-(benzylamino)ethenylsulfanyl]but-2-enyl]-4-thiophen-2-yl-1,3-thiazol-2-amine?
The canonical SMILES for N-[(Z)-2-[1-(benzylamino)ethenylsulfanyl]but-2-enyl]-4-thiophen-2-yl-1,3-thiazol-2-amine is C=C(NCc1ccccc1)S/C(=C\C)CNc1nc(-c2cccs2)cs1.
What is the InChIKey of N-[(Z)-2-[1-(benzylamino)ethenylsulfanyl]but-2-enyl]-4-thiophen-2-yl-1,3-thiazol-2-amine?
The InChIKey is DMZISNABXNUQOZ-YPEHOIGNSA-N. The full InChI is InChI=1S/C20H21N3S3/c1-3-17(26-15(2)21-12-16-8-5-4-6-9-16)13-22-20-23-18(14-25-20)19-10-7-11-24-19/h3-11,14,21H,2,12-13H2,1H3,(H,22,23)/b17-3-.
What are the key properties of N-[(Z)-2-[1-(benzylamino)ethenylsulfanyl]but-2-enyl]-4-thiophen-2-yl-1,3-thiazol-2-amine?
N-[(Z)-2-[1-(benzylamino)ethenylsulfanyl]but-2-enyl]-4-thiophen-2-yl-1,3-thiazol-2-amine has a molecular weight of 399.61 g/mol, XLogP of 6.18, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-2-[1-(benzylamino)ethenylsulfanyl]but-2-enyl]-4-thiophen-2-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 143676407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).