2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]-N-(4-tert-butyl-1,3-thiazol-2-yl)acetamide

C15H22N4OS2 — CID 110450848

IUPAC2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]-N-(4-tert-butyl-1,3-thiazol-2-yl)acetamide
SMILESCC(C)(C)c1csc(NC(=O)Cc2csc(CCCN)n2)n1
InChIInChI=1S/C15H22N4OS2/c1-15(2,3)11-9-22-14(18-11)19-12(20)7-10-8-21-13(17-10)5-4-6-16/h8-9H,4-7,16H2,1-3H3,(H,18,19,20)
InChIKeyGVITYFCOISMOEQ-UHFFFAOYSA-N
MW338.50 g/mol
LogP2.97
Rot. Bonds6

About 2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]-N-(4-tert-butyl-1,3-thiazol-2-yl)acetamide

2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]-N-(4-tert-butyl-1,3-thiazol-2-yl)acetamide (PubChem CID 110450848) has the molecular formula C15H22N4OS2 and a molecular weight of 338.50 g/mol. Its IUPAC name is 2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]-N-(4-tert-butyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]-N-(4-tert-butyl-1,3-thiazol-2-yl)acetamide
PubChem CID110450848
Molecular FormulaC15H22N4OS2
Molecular Weight338.50 g/mol
Exact Mass338.12
IUPAC Name2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]-N-(4-tert-butyl-1,3-thiazol-2-yl)acetamide
SMILESCC(C)(C)c1csc(NC(=O)Cc2csc(CCCN)n2)n1
InChIInChI=1S/C15H22N4OS2/c1-15(2,3)11-9-22-14(18-11)19-12(20)7-10-8-21-13(17-10)5-4-6-16/h8-9H,4-7,16H2,1-3H3,(H,18,19,20)
InChIKeyGVITYFCOISMOEQ-UHFFFAOYSA-N
XLogP2.97
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.50
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]-N-(4-tert-butyl-1,3-thiazol-2-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 82547668
2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]-N-(4-hydroxyphenyl)acetamide
CID 82547722
2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 82547684
6-amino-N-(4-tert-butyl-1,3-thiazol-2-yl)-4,4-dimethylhexanamide
CID 65292225
methyl 4-[[2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]acetyl]amino]benzoate
CID 110450768
2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]-N-(2-methyl-4-pyridinyl)acetamide
CID 82547746
2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]-N-(2-propan-2-ylphenyl)acetamide
CID 110450657
2-[2-(5-aminopentyl)-1,3-thiazol-4-yl]-N-(4-methylpiperazin-1-yl)acetamide
CID 110450519
4-[[2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]acetyl]amino]butanoic acid
CID 82547800
ethyl 2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]acetate
CID 107380154
4-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-4-oxobutanoic acid
CID 6465782
N-(4-tert-butyl-1,3-thiazol-2-yl)-3-chloropropanamide
CID 60650220

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]-N-(4-tert-butyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]-N-(4-tert-butyl-1,3-thiazol-2-yl)acetamide (CID 110450848) is 2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]-N-(4-tert-butyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]-N-(4-tert-butyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]-N-(4-tert-butyl-1,3-thiazol-2-yl)acetamide is CC(C)(C)c1csc(NC(=O)Cc2csc(CCCN)n2)n1.
What is the InChIKey of 2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]-N-(4-tert-butyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is GVITYFCOISMOEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4OS2/c1-15(2,3)11-9-22-14(18-11)19-12(20)7-10-8-21-13(17-10)5-4-6-16/h8-9H,4-7,16H2,1-3H3,(H,18,19,20).
What are the key properties of 2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]-N-(4-tert-butyl-1,3-thiazol-2-yl)acetamide?
2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]-N-(4-tert-butyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 338.50 g/mol, XLogP of 2.97, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]-N-(4-tert-butyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 110450848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).