N-(1-aminohexan-2-yl)-2-(2-benzyl-1,3-thiazol-4-yl)acetamide

C18H25N3OS — CID 119666140

IUPACN-(1-aminohexan-2-yl)-2-(2-benzyl-1,3-thiazol-4-yl)acetamide
SMILESCCCCC(CN)NC(=O)Cc1csc(Cc2ccccc2)n1
InChIInChI=1S/C18H25N3OS/c1-2-3-9-15(12-19)20-17(22)11-16-13-23-18(21-16)10-14-7-5-4-6-8-14/h4-8,13,15H,2-3,9-12,19H2,1H3,(H,20,22)
InChIKeyATPCRLIXMKKUTA-UHFFFAOYSA-N
MW331.48 g/mol
LogP2.91
Rot. Bonds9

About N-(1-aminohexan-2-yl)-2-(2-benzyl-1,3-thiazol-4-yl)acetamide

N-(1-aminohexan-2-yl)-2-(2-benzyl-1,3-thiazol-4-yl)acetamide (PubChem CID 119666140) has the molecular formula C18H25N3OS and a molecular weight of 331.48 g/mol. Its IUPAC name is N-(1-aminohexan-2-yl)-2-(2-benzyl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(1-aminohexan-2-yl)-2-(2-benzyl-1,3-thiazol-4-yl)acetamide
PubChem CID119666140
Molecular FormulaC18H25N3OS
Molecular Weight331.48 g/mol
Exact Mass331.17
IUPAC NameN-(1-aminohexan-2-yl)-2-(2-benzyl-1,3-thiazol-4-yl)acetamide
SMILESCCCCC(CN)NC(=O)Cc1csc(Cc2ccccc2)n1
InChIInChI=1S/C18H25N3OS/c1-2-3-9-15(12-19)20-17(22)11-16-13-23-18(21-16)10-14-7-5-4-6-8-14/h4-8,13,15H,2-3,9-12,19H2,1H3,(H,20,22)
InChIKeyATPCRLIXMKKUTA-UHFFFAOYSA-N
XLogP2.91
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.48
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-aminohexan-2-yl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide;dihydrochloride
CID 119668132
N-(1-aminohexan-2-yl)-2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetamide
CID 119664892
2-[[2-(2-benzyl-1,3-thiazol-4-yl)acetyl]amino]propanoic acid
CID 119225580
N-(1-aminohexan-2-yl)-2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetamide;hydrochloride
CID 119664891
ethyl 3-[[2-(2-benzyl-1,3-thiazol-4-yl)acetyl]amino]-3-phenylpropanoate
CID 48588024
N-(2-aminoethyl)-2-(2-benzyl-1,3-thiazol-4-yl)acetamide
CID 119383166
N-(1-aminohexan-2-yl)-2-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
CID 119668781
N-(1-aminopentan-2-yl)-2-phenylacetamide
CID 65191478
N'-[2-(2-benzyl-1,3-thiazol-4-yl)acetyl]-4-ethoxybenzohydrazide
CID 38710487
ethyl 2-[2-[[2-(2-benzyl-1,3-thiazol-4-yl)acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 55649828
N-(1-aminohexan-2-yl)-2-benzylbenzamide
CID 119666866
N-(1-aminohexan-2-yl)-2-imidazo[1,2-a]pyridin-2-ylacetamide
CID 119664981

Frequently Asked Questions

What is the IUPAC name of N-(1-aminohexan-2-yl)-2-(2-benzyl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-(1-aminohexan-2-yl)-2-(2-benzyl-1,3-thiazol-4-yl)acetamide (CID 119666140) is N-(1-aminohexan-2-yl)-2-(2-benzyl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-(1-aminohexan-2-yl)-2-(2-benzyl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-(1-aminohexan-2-yl)-2-(2-benzyl-1,3-thiazol-4-yl)acetamide is CCCCC(CN)NC(=O)Cc1csc(Cc2ccccc2)n1.
What is the InChIKey of N-(1-aminohexan-2-yl)-2-(2-benzyl-1,3-thiazol-4-yl)acetamide?
The InChIKey is ATPCRLIXMKKUTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3OS/c1-2-3-9-15(12-19)20-17(22)11-16-13-23-18(21-16)10-14-7-5-4-6-8-14/h4-8,13,15H,2-3,9-12,19H2,1H3,(H,20,22).
What are the key properties of N-(1-aminohexan-2-yl)-2-(2-benzyl-1,3-thiazol-4-yl)acetamide?
N-(1-aminohexan-2-yl)-2-(2-benzyl-1,3-thiazol-4-yl)acetamide has a molecular weight of 331.48 g/mol, XLogP of 2.91, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminohexan-2-yl)-2-(2-benzyl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 119666140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).