2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide

C10H12N4OS2 — CID 82547684

IUPAC2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1csc(NC(=O)Cc2csc(CN)n2)n1
InChIInChI=1S/C10H12N4OS2/c1-6-4-17-10(12-6)14-8(15)2-7-5-16-9(3-11)13-7/h4-5H,2-3,11H2,1H3,(H,12,14,15)
InChIKeyIITXOWGFFKCKBP-UHFFFAOYSA-N
MW268.37 g/mol
LogP1.55
Rot. Bonds4

About 2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide

2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide (PubChem CID 82547684) has the molecular formula C10H12N4OS2 and a molecular weight of 268.37 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
PubChem CID82547684
Molecular FormulaC10H12N4OS2
Molecular Weight268.37 g/mol
Exact Mass268.05
IUPAC Name2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1csc(NC(=O)Cc2csc(CN)n2)n1
InChIInChI=1S/C10H12N4OS2/c1-6-4-17-10(12-6)14-8(15)2-7-5-16-9(3-11)13-7/h4-5H,2-3,11H2,1H3,(H,12,14,15)
InChIKeyIITXOWGFFKCKBP-UHFFFAOYSA-N
XLogP1.55
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.37
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
CID 82547498
2-[[2-[2-(aminomethyl)-1,3-thiazol-4-yl]acetyl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
CID 110451038
2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-(5-methyl-2-pyridinyl)acetamide
CID 82547737
2-[2-[(4-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 18567598
2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-(4-hydroxyphenyl)acetamide
CID 82547725
N-(4-methyl-1,3-thiazol-2-yl)-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
CID 18288555
2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]-N-(4-tert-butyl-1,3-thiazol-2-yl)acetamide
CID 110450848
2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-propylacetamide
CID 94256775
3-amino-N-(4-methyl-1,3-thiazol-2-yl)-3-sulfanylidenepropanamide
CID 43120468
2-(4-bromophenyl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 798801
4-[[2-[2-(aminomethyl)-1,3-thiazol-4-yl]acetyl]amino]benzamide
CID 82547522
2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 8001192

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide (CID 82547684) is 2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide is Cc1csc(NC(=O)Cc2csc(CN)n2)n1.
What is the InChIKey of 2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is IITXOWGFFKCKBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4OS2/c1-6-4-17-10(12-6)14-8(15)2-7-5-16-9(3-11)13-7/h4-5H,2-3,11H2,1H3,(H,12,14,15).
What are the key properties of 2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 268.37 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 82547684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).