3-(dimethylamino)-N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]benzamide

C19H19N3OS2 — CID 60546751

IUPAC3-(dimethylamino)-N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]benzamide
SMILESCc1csc(Sc2ccc(NC(=O)c3cccc(N(C)C)c3)cc2)n1
InChIInChI=1S/C19H19N3OS2/c1-13-12-24-19(20-13)25-17-9-7-15(8-10-17)21-18(23)14-5-4-6-16(11-14)22(2)3/h4-12H,1-3H3,(H,21,23)
InChIKeyFAYWFYBMIIRSHU-UHFFFAOYSA-N
MW369.52 g/mol
LogP4.92
Rot. Bonds5

About 3-(dimethylamino)-N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]benzamide

3-(dimethylamino)-N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]benzamide (PubChem CID 60546751) has the molecular formula C19H19N3OS2 and a molecular weight of 369.52 g/mol. Its IUPAC name is 3-(dimethylamino)-N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]benzamide.

Molecular Properties

Compound Name3-(dimethylamino)-N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]benzamide
PubChem CID60546751
Molecular FormulaC19H19N3OS2
Molecular Weight369.52 g/mol
Exact Mass369.10
IUPAC Name3-(dimethylamino)-N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]benzamide
SMILESCc1csc(Sc2ccc(NC(=O)c3cccc(N(C)C)c3)cc2)n1
InChIInChI=1S/C19H19N3OS2/c1-13-12-24-19(20-13)25-17-9-7-15(8-10-17)21-18(23)14-5-4-6-16(11-14)22(2)3/h4-12H,1-3H3,(H,21,23)
InChIKeyFAYWFYBMIIRSHU-UHFFFAOYSA-N
XLogP4.92
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.52
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-1,3-benzodioxole-5-carboxamide
CID 55813133
3-(dimethylamino)-N-(4-methylphenyl)benzamide
CID 7899886
N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-3-(2-oxoimidazolidin-1-yl)benzamide
CID 55993180
N-(4-bromophenyl)-3-(dimethylamino)benzamide
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3-(dimethylamino)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 30859281
3-(dimethylamino)-N-(4-formylphenyl)benzamide
CID 106912114
N-[3-[[3-(dimethylamino)benzoyl]amino]phenyl]pyridine-4-carboxamide
CID 55610611
N-[4-(diethylamino)phenyl]-3-(dimethylamino)benzamide
CID 8761945
4-bromo-2,5-dimethyl-N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]furan-3-carboxamide
CID 55921210
3-(dimethylamino)-N-[4-(2-methoxyethoxy)phenyl]benzamide
CID 46437083
N-(4-carbamothioylphenyl)-3-(dimethylamino)benzamide
CID 43329185
4-benzoyl-N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]piperazine-1-carboxamide
CID 60563188

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]benzamide?
The IUPAC name of 3-(dimethylamino)-N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]benzamide (CID 60546751) is 3-(dimethylamino)-N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]benzamide.
What is the SMILES notation for 3-(dimethylamino)-N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]benzamide?
The canonical SMILES for 3-(dimethylamino)-N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]benzamide is Cc1csc(Sc2ccc(NC(=O)c3cccc(N(C)C)c3)cc2)n1.
What is the InChIKey of 3-(dimethylamino)-N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]benzamide?
The InChIKey is FAYWFYBMIIRSHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3OS2/c1-13-12-24-19(20-13)25-17-9-7-15(8-10-17)21-18(23)14-5-4-6-16(11-14)22(2)3/h4-12H,1-3H3,(H,21,23).
What are the key properties of 3-(dimethylamino)-N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]benzamide?
3-(dimethylamino)-N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]benzamide has a molecular weight of 369.52 g/mol, XLogP of 4.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]benzamide is sourced from PubChem (CID 60546751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).