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

C13H22N4OS — CID 104979408

IUPACN-[4-[[azepan-4-yl(methyl)amino]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(CN(C)C2CCCNCC2)cs1
InChIInChI=1S/C13H22N4OS/c1-10(18)15-13-16-11(9-19-13)8-17(2)12-4-3-6-14-7-5-12/h9,12,14H,3-8H2,1-2H3,(H,15,16,18)
InChIKeyIWFNIHGKUMSHJN-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.68
Rot. Bonds4

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

N-[4-[[azepan-4-yl(methyl)amino]methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 104979408) has the molecular formula C13H22N4OS and a molecular weight of 282.41 g/mol. Its IUPAC name is N-[4-[[azepan-4-yl(methyl)amino]methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-[[azepan-4-yl(methyl)amino]methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID104979408
Molecular FormulaC13H22N4OS
Molecular Weight282.41 g/mol
Exact Mass282.15
IUPAC NameN-[4-[[azepan-4-yl(methyl)amino]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(CN(C)C2CCCNCC2)cs1
InChIInChI=1S/C13H22N4OS/c1-10(18)15-13-16-11(9-19-13)8-17(2)12-4-3-6-14-7-5-12/h9,12,14H,3-8H2,1-2H3,(H,15,16,18)
InChIKeyIWFNIHGKUMSHJN-UHFFFAOYSA-N
XLogP1.68
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 ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[[ethyl(piperidin-4-yl)amino]methyl]-1,3-thiazol-2-yl]acetamide
CID 54923162
N-[4-[[cyclohexyl(2-hydroxyethyl)amino]methyl]-1,3-thiazol-2-yl]acetamide
CID 60694759
N-[4-[[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]methyl]-1,3-thiazol-2-yl]acetamide
CID 61231729
4-[(2-acetamido-1,3-thiazol-4-yl)methyl-methylamino]oxolane-3-carboxylic acid
CID 66236613
N-[4-[2-[methyl(piperidin-4-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 119444365
2-[(2-acetamido-1,3-thiazol-4-yl)methyl-(cyclopropylmethyl)amino]acetic acid
CID 43656504
N'-acetyl-2-[azepan-4-yl(methyl)amino]acetohydrazide
CID 107173328
4-[[azepan-4-yl(methyl)amino]methyl]benzoic acid
CID 107173321
N-[4-[(N-ethyl-4-fluoroanilino)methyl]-1,3-thiazol-2-yl]acetamide
CID 78825720
N-methyl-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperidin-3-amine
CID 63644443
N-[4-[2-[methyl(pyrrolidin-3-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide;dihydrochloride
CID 119554477
N-[(2-chloro-1,3-thiazol-4-yl)methyl]-N-methylcyclohexanamine
CID 130552489

Frequently Asked Questions

What is the IUPAC name of N-[4-[[azepan-4-yl(methyl)amino]methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[4-[[azepan-4-yl(methyl)amino]methyl]-1,3-thiazol-2-yl]acetamide (CID 104979408) is N-[4-[[azepan-4-yl(methyl)amino]methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[4-[[azepan-4-yl(methyl)amino]methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[4-[[azepan-4-yl(methyl)amino]methyl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc(CN(C)C2CCCNCC2)cs1.
What is the InChIKey of N-[4-[[azepan-4-yl(methyl)amino]methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is IWFNIHGKUMSHJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4OS/c1-10(18)15-13-16-11(9-19-13)8-17(2)12-4-3-6-14-7-5-12/h9,12,14H,3-8H2,1-2H3,(H,15,16,18).
What are the key properties of N-[4-[[azepan-4-yl(methyl)amino]methyl]-1,3-thiazol-2-yl]acetamide?
N-[4-[[azepan-4-yl(methyl)amino]methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 282.41 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[azepan-4-yl(methyl)amino]methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 104979408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).