2-(1,4-diazepan-1-yl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide

C13H22N4OS — CID 55121452

IUPAC2-(1,4-diazepan-1-yl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide
SMILESCC(C)c1csc(NC(=O)CN2CCCNCC2)n1
InChIInChI=1S/C13H22N4OS/c1-10(2)11-9-19-13(15-11)16-12(18)8-17-6-3-4-14-5-7-17/h9-10,14H,3-8H2,1-2H3,(H,15,16,18)
InChIKeyNCGOZLOOPAQKOK-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.50
Rot. Bonds4

About 2-(1,4-diazepan-1-yl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide

2-(1,4-diazepan-1-yl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide (PubChem CID 55121452) has the molecular formula C13H22N4OS and a molecular weight of 282.41 g/mol. Its IUPAC name is 2-(1,4-diazepan-1-yl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(1,4-diazepan-1-yl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide
PubChem CID55121452
Molecular FormulaC13H22N4OS
Molecular Weight282.41 g/mol
Exact Mass282.15
IUPAC Name2-(1,4-diazepan-1-yl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide
SMILESCC(C)c1csc(NC(=O)CN2CCCNCC2)n1
InChIInChI=1S/C13H22N4OS/c1-10(2)11-9-19-13(15-11)16-12(18)8-17-6-3-4-14-5-7-17/h9-10,14H,3-8H2,1-2H3,(H,15,16,18)
InChIKeyNCGOZLOOPAQKOK-UHFFFAOYSA-N
XLogP1.50
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1,4-diazepan-1-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide
CID 62838697
N-(4-propan-2-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 54958477
2-(1,4-diazepan-1-yl)-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide
CID 81356922
N-(4-propan-2-yl-1,3-thiazol-2-yl)-2-pyrrolidin-2-ylacetamide
CID 54958427
2-(1,4-diazepan-1-yl)-N-(3-propan-2-ylphenyl)acetamide
CID 43348732
N-(4-propan-2-yl-1,3-thiazol-2-yl)-3-sulfanylpropanamide
CID 107025335
2-(1,4-diazepan-1-yl)-N-(3-methylbutan-2-yl)acetamide;hydrochloride
CID 119906862
N-[(1S)-1-(4-bromophenyl)ethyl]-2-(1,4-diazepan-1-yl)acetamide
CID 81359839
N-(4-propan-2-yl-1,3-thiazol-2-yl)-4-propylpiperidine-4-carboxamide
CID 63129103
2-(cyclopentylamino)-N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide
CID 54958579
2-(1,4-diazepan-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide;hydrochloride
CID 119906370
2-(1,4-diazepan-1-yl)-N-[(1R)-1-pyridin-3-ylethyl]acetamide
CID 81404554

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-diazepan-1-yl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(1,4-diazepan-1-yl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide (CID 55121452) is 2-(1,4-diazepan-1-yl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(1,4-diazepan-1-yl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(1,4-diazepan-1-yl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide is CC(C)c1csc(NC(=O)CN2CCCNCC2)n1.
What is the InChIKey of 2-(1,4-diazepan-1-yl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide?
The InChIKey is NCGOZLOOPAQKOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4OS/c1-10(2)11-9-19-13(15-11)16-12(18)8-17-6-3-4-14-5-7-17/h9-10,14H,3-8H2,1-2H3,(H,15,16,18).
What are the key properties of 2-(1,4-diazepan-1-yl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide?
2-(1,4-diazepan-1-yl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide has a molecular weight of 282.41 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-diazepan-1-yl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 55121452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).