N-[2-[[(Z)-1-(4,5-dihydro-1,3-thiazol-2-yl)prop-1-enyl]amino]phenyl]-N-methylmethanesulfonamide

C14H19N3O2S2 — CID 71133041

IUPACN-[2-[[(Z)-1-(4,5-dihydro-1,3-thiazol-2-yl)prop-1-enyl]amino]phenyl]-N-methylmethanesulfonamide
SMILESC/C=C(\Nc1ccccc1N(C)S(C)(=O)=O)C1=NCCS1
InChIInChI=1S/C14H19N3O2S2/c1-4-11(14-15-9-10-20-14)16-12-7-5-6-8-13(12)17(2)21(3,18)19/h4-8,16H,9-10H2,1-3H3/b11-4-
InChIKeyIDIXZANMPIFUSB-WCIBSUBMSA-N
MW325.46 g/mol
LogP2.54
Rot. Bonds5

About N-[2-[[(Z)-1-(4,5-dihydro-1,3-thiazol-2-yl)prop-1-enyl]amino]phenyl]-N-methylmethanesulfonamide

N-[2-[[(Z)-1-(4,5-dihydro-1,3-thiazol-2-yl)prop-1-enyl]amino]phenyl]-N-methylmethanesulfonamide (PubChem CID 71133041) has the molecular formula C14H19N3O2S2 and a molecular weight of 325.46 g/mol. Its IUPAC name is N-[2-[[(Z)-1-(4,5-dihydro-1,3-thiazol-2-yl)prop-1-enyl]amino]phenyl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[2-[[(Z)-1-(4,5-dihydro-1,3-thiazol-2-yl)prop-1-enyl]amino]phenyl]-N-methylmethanesulfonamide
PubChem CID71133041
Molecular FormulaC14H19N3O2S2
Molecular Weight325.46 g/mol
Exact Mass325.09
IUPAC NameN-[2-[[(Z)-1-(4,5-dihydro-1,3-thiazol-2-yl)prop-1-enyl]amino]phenyl]-N-methylmethanesulfonamide
SMILESC/C=C(\Nc1ccccc1N(C)S(C)(=O)=O)C1=NCCS1
InChIInChI=1S/C14H19N3O2S2/c1-4-11(14-15-9-10-20-14)16-12-7-5-6-8-13(12)17(2)21(3,18)19/h4-8,16H,9-10H2,1-3H3/b11-4-
InChIKeyIDIXZANMPIFUSB-WCIBSUBMSA-N
XLogP2.54
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[(Z)-1-(4,5-dihydro-1,3-thiazol-2-yl)prop-1-enyl]amino]phenyl]-N-methylmethanesulfonamide?
The IUPAC name of N-[2-[[(Z)-1-(4,5-dihydro-1,3-thiazol-2-yl)prop-1-enyl]amino]phenyl]-N-methylmethanesulfonamide (CID 71133041) is N-[2-[[(Z)-1-(4,5-dihydro-1,3-thiazol-2-yl)prop-1-enyl]amino]phenyl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[2-[[(Z)-1-(4,5-dihydro-1,3-thiazol-2-yl)prop-1-enyl]amino]phenyl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[2-[[(Z)-1-(4,5-dihydro-1,3-thiazol-2-yl)prop-1-enyl]amino]phenyl]-N-methylmethanesulfonamide is C/C=C(\Nc1ccccc1N(C)S(C)(=O)=O)C1=NCCS1.
What is the InChIKey of N-[2-[[(Z)-1-(4,5-dihydro-1,3-thiazol-2-yl)prop-1-enyl]amino]phenyl]-N-methylmethanesulfonamide?
The InChIKey is IDIXZANMPIFUSB-WCIBSUBMSA-N. The full InChI is InChI=1S/C14H19N3O2S2/c1-4-11(14-15-9-10-20-14)16-12-7-5-6-8-13(12)17(2)21(3,18)19/h4-8,16H,9-10H2,1-3H3/b11-4-.
What are the key properties of N-[2-[[(Z)-1-(4,5-dihydro-1,3-thiazol-2-yl)prop-1-enyl]amino]phenyl]-N-methylmethanesulfonamide?
N-[2-[[(Z)-1-(4,5-dihydro-1,3-thiazol-2-yl)prop-1-enyl]amino]phenyl]-N-methylmethanesulfonamide has a molecular weight of 325.46 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(Z)-1-(4,5-dihydro-1,3-thiazol-2-yl)prop-1-enyl]amino]phenyl]-N-methylmethanesulfonamide is sourced from PubChem (CID 71133041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).