2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide

C11H15N5OS2 — CID 82547668

IUPAC2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCc1nnc(NC(=O)Cc2csc(CCCN)n2)s1
InChIInChI=1S/C11H15N5OS2/c1-7-15-16-11(19-7)14-9(17)5-8-6-18-10(13-8)3-2-4-12/h6H,2-5,12H2,1H3,(H,14,16,17)
InChIKeyKPCWSDZHIPEHDE-UHFFFAOYSA-N
MW297.41 g/mol
LogP1.38
Rot. Bonds6

About 2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide

2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 82547668) has the molecular formula C11H15N5OS2 and a molecular weight of 297.41 g/mol. Its IUPAC name is 2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID82547668
Molecular FormulaC11H15N5OS2
Molecular Weight297.41 g/mol
Exact Mass297.07
IUPAC Name2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCc1nnc(NC(=O)Cc2csc(CCCN)n2)s1
InChIInChI=1S/C11H15N5OS2/c1-7-15-16-11(19-7)14-9(17)5-8-6-18-10(13-8)3-2-4-12/h6H,2-5,12H2,1H3,(H,14,16,17)
InChIKeyKPCWSDZHIPEHDE-UHFFFAOYSA-N
XLogP1.38
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.41
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

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-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
CID 82547498
2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]-N-(4-hydroxyphenyl)acetamide
CID 82547722
2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]-N-(2-methyl-4-pyridinyl)acetamide
CID 82547746
methyl 4-[[2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]acetyl]amino]benzoate
CID 110450768
4-chloro-N-[4-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 41213345
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
2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]-N-(2-propan-2-ylphenyl)acetamide
CID 110450657
2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]-N-(4-hydroxycyclohexyl)acetamide
CID 82547664
2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 82547684
2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]-N-(3-cyanophenyl)acetamide
CID 82547638

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide (CID 82547668) is 2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide is Cc1nnc(NC(=O)Cc2csc(CCCN)n2)s1.
What is the InChIKey of 2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is KPCWSDZHIPEHDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5OS2/c1-7-15-16-11(19-7)14-9(17)5-8-6-18-10(13-8)3-2-4-12/h6H,2-5,12H2,1H3,(H,14,16,17).
What are the key properties of 2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 297.41 g/mol, XLogP of 1.38, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 82547668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).