N-(3-methylphenyl)-3-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]sulfanyl]propanamide

C20H20N2OS2 — CID 4203345

IUPACN-(3-methylphenyl)-3-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]sulfanyl]propanamide
SMILESCc1ccc(-c2csc(SCCC(=O)Nc3cccc(C)c3)n2)cc1
InChIInChI=1S/C20H20N2OS2/c1-14-6-8-16(9-7-14)18-13-25-20(22-18)24-11-10-19(23)21-17-5-3-4-15(2)12-17/h3-9,12-13H,10-11H2,1-2H3,(H,21,23)
InChIKeyVHBDPZWBKRIOMC-UHFFFAOYSA-N
MW368.53 g/mol
LogP5.55
Rot. Bonds6

About N-(3-methylphenyl)-3-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]sulfanyl]propanamide

N-(3-methylphenyl)-3-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]sulfanyl]propanamide (PubChem CID 4203345) has the molecular formula C20H20N2OS2 and a molecular weight of 368.53 g/mol. Its IUPAC name is N-(3-methylphenyl)-3-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]sulfanyl]propanamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-3-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]sulfanyl]propanamide
PubChem CID4203345
Molecular FormulaC20H20N2OS2
Molecular Weight368.53 g/mol
Exact Mass368.10
IUPAC NameN-(3-methylphenyl)-3-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]sulfanyl]propanamide
SMILESCc1ccc(-c2csc(SCCC(=O)Nc3cccc(C)c3)n2)cc1
InChIInChI=1S/C20H20N2OS2/c1-14-6-8-16(9-7-14)18-13-25-20(22-18)24-11-10-19(23)21-17-5-3-4-15(2)12-17/h3-9,12-13H,10-11H2,1-2H3,(H,21,23)
InChIKeyVHBDPZWBKRIOMC-UHFFFAOYSA-N
XLogP5.55
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.53
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-3-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]sulfanyl]propanamide?
The IUPAC name of N-(3-methylphenyl)-3-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]sulfanyl]propanamide (CID 4203345) is N-(3-methylphenyl)-3-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]sulfanyl]propanamide.
What is the SMILES notation for N-(3-methylphenyl)-3-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]sulfanyl]propanamide?
The canonical SMILES for N-(3-methylphenyl)-3-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]sulfanyl]propanamide is Cc1ccc(-c2csc(SCCC(=O)Nc3cccc(C)c3)n2)cc1.
What is the InChIKey of N-(3-methylphenyl)-3-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]sulfanyl]propanamide?
The InChIKey is VHBDPZWBKRIOMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2OS2/c1-14-6-8-16(9-7-14)18-13-25-20(22-18)24-11-10-19(23)21-17-5-3-4-15(2)12-17/h3-9,12-13H,10-11H2,1-2H3,(H,21,23).
What are the key properties of N-(3-methylphenyl)-3-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]sulfanyl]propanamide?
N-(3-methylphenyl)-3-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]sulfanyl]propanamide has a molecular weight of 368.53 g/mol, XLogP of 5.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-3-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]sulfanyl]propanamide is sourced from PubChem (CID 4203345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).