3-[(4-methyl-1,3-thiazol-2-yl)methylamino]-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide

C17H18N4OS2 — CID 154850938

IUPAC3-[(4-methyl-1,3-thiazol-2-yl)methylamino]-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide
SMILESCc1csc(CNc2cccc(C(=O)NC(C)c3nccs3)c2)n1
InChIInChI=1S/C17H18N4OS2/c1-11-10-24-15(20-11)9-19-14-5-3-4-13(8-14)16(22)21-12(2)17-18-6-7-23-17/h3-8,10,12,19H,9H2,1-2H3,(H,21,22)
InChIKeyFPSVMEVUFWCABX-UHFFFAOYSA-N
MW358.49 g/mol
LogP4.01
Rot. Bonds6

About 3-[(4-methyl-1,3-thiazol-2-yl)methylamino]-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide

3-[(4-methyl-1,3-thiazol-2-yl)methylamino]-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide (PubChem CID 154850938) has the molecular formula C17H18N4OS2 and a molecular weight of 358.49 g/mol. Its IUPAC name is 3-[(4-methyl-1,3-thiazol-2-yl)methylamino]-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-[(4-methyl-1,3-thiazol-2-yl)methylamino]-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide
PubChem CID154850938
Molecular FormulaC17H18N4OS2
Molecular Weight358.49 g/mol
Exact Mass358.09
IUPAC Name3-[(4-methyl-1,3-thiazol-2-yl)methylamino]-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide
SMILESCc1csc(CNc2cccc(C(=O)NC(C)c3nccs3)c2)n1
InChIInChI=1S/C17H18N4OS2/c1-11-10-24-15(20-11)9-19-14-5-3-4-13(8-14)16(22)21-12(2)17-18-6-7-23-17/h3-8,10,12,19H,9H2,1-2H3,(H,21,22)
InChIKeyFPSVMEVUFWCABX-UHFFFAOYSA-N
XLogP4.01
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-sulfanyl-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide
CID 107030826
3,4-dimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide
CID 143210996
3-[(2-methyl-1,3-thiazol-4-yl)methylamino]-N-propan-2-ylbenzamide
CID 43693975
3-(3-hydroxy-3-methylbutyl)-N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 95894287
4-[(4-methyl-1,3-thiazol-2-yl)methylamino]pyridine-2-carboxamide
CID 54913654
3-hydroxy-2-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide
CID 82828968
methyl 3-[1-(1,3-thiazol-2-yl)ethylamino]benzoate
CID 64993607
3-(difluoromethoxy)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]aniline
CID 115633699
N-methyl-4-[(4-methyl-1,3-thiazol-2-yl)methylamino]benzamide
CID 104769743
3,4-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]aniline
CID 78992547
5-(3-hydroxyprop-1-ynyl)-N-[1-(1,3-thiazol-2-yl)ethyl]thiophene-3-carboxamide
CID 79696788
N-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]-3-(thiophen-2-ylmethylamino)benzamide
CID 50982275

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methyl-1,3-thiazol-2-yl)methylamino]-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide?
The IUPAC name of 3-[(4-methyl-1,3-thiazol-2-yl)methylamino]-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide (CID 154850938) is 3-[(4-methyl-1,3-thiazol-2-yl)methylamino]-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide.
What is the SMILES notation for 3-[(4-methyl-1,3-thiazol-2-yl)methylamino]-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide?
The canonical SMILES for 3-[(4-methyl-1,3-thiazol-2-yl)methylamino]-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide is Cc1csc(CNc2cccc(C(=O)NC(C)c3nccs3)c2)n1.
What is the InChIKey of 3-[(4-methyl-1,3-thiazol-2-yl)methylamino]-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide?
The InChIKey is FPSVMEVUFWCABX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4OS2/c1-11-10-24-15(20-11)9-19-14-5-3-4-13(8-14)16(22)21-12(2)17-18-6-7-23-17/h3-8,10,12,19H,9H2,1-2H3,(H,21,22).
What are the key properties of 3-[(4-methyl-1,3-thiazol-2-yl)methylamino]-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide?
3-[(4-methyl-1,3-thiazol-2-yl)methylamino]-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide has a molecular weight of 358.49 g/mol, XLogP of 4.01, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methyl-1,3-thiazol-2-yl)methylamino]-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide is sourced from PubChem (CID 154850938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).