N-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]-3-methylbenzamide

C19H19N3O2S2 — CID 37389788

IUPACN-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]-3-methylbenzamide
SMILESCC(=O)NCc1ccc(-c2nc(NC(=O)c3cccc(C)c3)sc2C)s1
InChIInChI=1S/C19H19N3O2S2/c1-11-5-4-6-14(9-11)18(24)22-19-21-17(12(2)25-19)16-8-7-15(26-16)10-20-13(3)23/h4-9H,10H2,1-3H3,(H,20,23)(H,21,22,24)
InChIKeyVIBGDFOMDKIOSE-UHFFFAOYSA-N
MW385.51 g/mol
LogP4.38
Rot. Bonds5

About N-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]-3-methylbenzamide

N-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]-3-methylbenzamide (PubChem CID 37389788) has the molecular formula C19H19N3O2S2 and a molecular weight of 385.51 g/mol. Its IUPAC name is N-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]-3-methylbenzamide
PubChem CID37389788
Molecular FormulaC19H19N3O2S2
Molecular Weight385.51 g/mol
Exact Mass385.09
IUPAC NameN-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]-3-methylbenzamide
SMILESCC(=O)NCc1ccc(-c2nc(NC(=O)c3cccc(C)c3)sc2C)s1
InChIInChI=1S/C19H19N3O2S2/c1-11-5-4-6-14(9-11)18(24)22-19-21-17(12(2)25-19)16-8-7-15(26-16)10-20-13(3)23/h4-9H,10H2,1-3H3,(H,20,23)(H,21,22,24)
InChIKeyVIBGDFOMDKIOSE-UHFFFAOYSA-N
XLogP4.38
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]-1-methyl-2-oxopyridine-4-carboxamide
CID 55596873
N-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]-3-(prop-2-enylsulfamoyl)benzamide
CID 30874619
N-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 30874726
N-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]-4-(tetrazol-1-yl)benzamide
CID 112818737
N-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]-3-nitro-4-pyrrolidin-1-ylbenzamide
CID 30874673
N-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]-3-(4-methylphenyl)propanamide
CID 37389412
N-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]piperidine-4-carboxamide;hydrochloride
CID 119293306
N-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]-2-[(3-chlorophenyl)methylsulfanyl]acetamide
CID 37389983
N-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]-1-aminocyclohexane-1-carboxamide;hydrochloride
CID 120589150
N-[2-[[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-methylfuran-2-carboxamide
CID 30874585
N-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]-2-[4-(trifluoromethoxy)phenyl]acetamide
CID 55760608
N-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxamide
CID 55632341

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]-3-methylbenzamide?
The IUPAC name of N-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]-3-methylbenzamide (CID 37389788) is N-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]-3-methylbenzamide.
What is the SMILES notation for N-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]-3-methylbenzamide?
The canonical SMILES for N-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]-3-methylbenzamide is CC(=O)NCc1ccc(-c2nc(NC(=O)c3cccc(C)c3)sc2C)s1.
What is the InChIKey of N-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]-3-methylbenzamide?
The InChIKey is VIBGDFOMDKIOSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2S2/c1-11-5-4-6-14(9-11)18(24)22-19-21-17(12(2)25-19)16-8-7-15(26-16)10-20-13(3)23/h4-9H,10H2,1-3H3,(H,20,23)(H,21,22,24).
What are the key properties of N-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]-3-methylbenzamide?
N-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]-3-methylbenzamide has a molecular weight of 385.51 g/mol, XLogP of 4.38, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]-3-methylbenzamide is sourced from PubChem (CID 37389788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).