N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]-4-(methylamino)butanamide

C17H21N3OS — CID 119687104

IUPACN-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]-4-(methylamino)butanamide
SMILESCNCCCC(=O)Nc1nc(-c2ccc3c(c2)CCC3)cs1
InChIInChI=1S/C17H21N3OS/c1-18-9-3-6-16(21)20-17-19-15(11-22-17)14-8-7-12-4-2-5-13(12)10-14/h7-8,10-11,18H,2-6,9H2,1H3,(H,19,20,21)
InChIKeyPYJYFOOGNYPZPS-UHFFFAOYSA-N
MW315.44 g/mol
LogP3.24
Rot. Bonds6

About N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]-4-(methylamino)butanamide

N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]-4-(methylamino)butanamide (PubChem CID 119687104) has the molecular formula C17H21N3OS and a molecular weight of 315.44 g/mol. Its IUPAC name is N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]-4-(methylamino)butanamide.

Molecular Properties

Compound NameN-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]-4-(methylamino)butanamide
PubChem CID119687104
Molecular FormulaC17H21N3OS
Molecular Weight315.44 g/mol
Exact Mass315.14
IUPAC NameN-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]-4-(methylamino)butanamide
SMILESCNCCCC(=O)Nc1nc(-c2ccc3c(c2)CCC3)cs1
InChIInChI=1S/C17H21N3OS/c1-18-9-3-6-16(21)20-17-19-15(11-22-17)14-8-7-12-4-2-5-13(12)10-14/h7-8,10-11,18H,2-6,9H2,1H3,(H,19,20,21)
InChIKeyPYJYFOOGNYPZPS-UHFFFAOYSA-N
XLogP3.24
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-4-(methylamino)butanamide
CID 119677128
N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]propanamide
CID 4142849
3-acetamido-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]propanamide
CID 8780790
4-(2,5-dimethylphenoxy)-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]butanamide
CID 19228226
N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]-2-(2-methoxyethoxy)acetamide
CID 35804890
4-(2-methylphenoxy)-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]butanamide
CID 19228141
4-(4-chlorophenyl)sulfanyl-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]butanamide
CID 41272315
2-(4-tert-butylphenoxy)-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]acetamide
CID 19227816
2-(4-propylphenoxy)-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]acetamide
CID 19227652
4-(2-bromo-4-tert-butylphenoxy)-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]butanamide
CID 19228715
2-amino-2-methyl-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]propanamide
CID 119264633
2-(4-ethylsulfonylphenyl)-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]acetamide
CID 18587057

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]-4-(methylamino)butanamide?
The IUPAC name of N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]-4-(methylamino)butanamide (CID 119687104) is N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]-4-(methylamino)butanamide.
What is the SMILES notation for N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]-4-(methylamino)butanamide?
The canonical SMILES for N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]-4-(methylamino)butanamide is CNCCCC(=O)Nc1nc(-c2ccc3c(c2)CCC3)cs1.
What is the InChIKey of N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]-4-(methylamino)butanamide?
The InChIKey is PYJYFOOGNYPZPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3OS/c1-18-9-3-6-16(21)20-17-19-15(11-22-17)14-8-7-12-4-2-5-13(12)10-14/h7-8,10-11,18H,2-6,9H2,1H3,(H,19,20,21).
What are the key properties of N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]-4-(methylamino)butanamide?
N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]-4-(methylamino)butanamide has a molecular weight of 315.44 g/mol, XLogP of 3.24, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]-4-(methylamino)butanamide is sourced from PubChem (CID 119687104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).