2-[(2-amino-1,3-thiazol-5-yl)methyl-methylamino]-N-(thiophen-2-ylmethyl)acetamide

C12H16N4OS2 — CID 120900523

IUPAC2-[(2-amino-1,3-thiazol-5-yl)methyl-methylamino]-N-(thiophen-2-ylmethyl)acetamide
SMILESCN(CC(=O)NCc1cccs1)Cc1cnc(N)s1
InChIInChI=1S/C12H16N4OS2/c1-16(7-10-6-15-12(13)19-10)8-11(17)14-5-9-3-2-4-18-9/h2-4,6H,5,7-8H2,1H3,(H2,13,15)(H,14,17)
InChIKeyPWIASMMJWMHYEH-UHFFFAOYSA-N
MW296.42 g/mol
LogP1.53
Rot. Bonds6

About 2-[(2-amino-1,3-thiazol-5-yl)methyl-methylamino]-N-(thiophen-2-ylmethyl)acetamide

2-[(2-amino-1,3-thiazol-5-yl)methyl-methylamino]-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 120900523) has the molecular formula C12H16N4OS2 and a molecular weight of 296.42 g/mol. Its IUPAC name is 2-[(2-amino-1,3-thiazol-5-yl)methyl-methylamino]-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(2-amino-1,3-thiazol-5-yl)methyl-methylamino]-N-(thiophen-2-ylmethyl)acetamide
PubChem CID120900523
Molecular FormulaC12H16N4OS2
Molecular Weight296.42 g/mol
Exact Mass296.08
IUPAC Name2-[(2-amino-1,3-thiazol-5-yl)methyl-methylamino]-N-(thiophen-2-ylmethyl)acetamide
SMILESCN(CC(=O)NCc1cccs1)Cc1cnc(N)s1
InChIInChI=1S/C12H16N4OS2/c1-16(7-10-6-15-12(13)19-10)8-11(17)14-5-9-3-2-4-18-9/h2-4,6H,5,7-8H2,1H3,(H2,13,15)(H,14,17)
InChIKeyPWIASMMJWMHYEH-UHFFFAOYSA-N
XLogP1.53
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(6-bromo-3-pyridinyl)methyl-methylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 166216279
2-[(2-amino-1,3-thiazol-5-yl)methyl-methylamino]-N-(5-bromo-2-pyridinyl)acetamide
CID 120903166
N-[(4-methylphenyl)methyl]-2-[methyl(thiophen-2-ylmethyl)amino]acetamide
CID 26512957
2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 78957766
2-[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]-N-(thiophen-2-ylmethyl)acetamide
CID 135115780
2-[methyl(1-thiophen-2-ylethyl)amino]-N-(thiophen-2-ylmethyl)acetamide
CID 51271574
2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-(thiophen-2-ylmethylcarbamoyl)acetamide
CID 40741355
2-[2-(4-methoxyphenoxy)ethyl-methylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 27075867
3-[methyl(pyrazin-2-ylmethyl)amino]-N-(thiophen-2-ylmethyl)propanamide
CID 91841122
5-[[ethyl(2-thiophen-2-ylethyl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120898756
N-(thiophen-2-ylmethyl)-2-(N,2,5-trimethylanilino)acetamide
CID 47294418
2-thiophen-2-yl-N-(thiophen-2-ylmethyl)acetamide
CID 1245174

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-1,3-thiazol-5-yl)methyl-methylamino]-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-[(2-amino-1,3-thiazol-5-yl)methyl-methylamino]-N-(thiophen-2-ylmethyl)acetamide (CID 120900523) is 2-[(2-amino-1,3-thiazol-5-yl)methyl-methylamino]-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[(2-amino-1,3-thiazol-5-yl)methyl-methylamino]-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-[(2-amino-1,3-thiazol-5-yl)methyl-methylamino]-N-(thiophen-2-ylmethyl)acetamide is CN(CC(=O)NCc1cccs1)Cc1cnc(N)s1.
What is the InChIKey of 2-[(2-amino-1,3-thiazol-5-yl)methyl-methylamino]-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is PWIASMMJWMHYEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4OS2/c1-16(7-10-6-15-12(13)19-10)8-11(17)14-5-9-3-2-4-18-9/h2-4,6H,5,7-8H2,1H3,(H2,13,15)(H,14,17).
What are the key properties of 2-[(2-amino-1,3-thiazol-5-yl)methyl-methylamino]-N-(thiophen-2-ylmethyl)acetamide?
2-[(2-amino-1,3-thiazol-5-yl)methyl-methylamino]-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 296.42 g/mol, XLogP of 1.53, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-1,3-thiazol-5-yl)methyl-methylamino]-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 120900523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).