N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-4-(methylamino)butanamide

C16H21N3OS — CID 119677128

IUPACN-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-4-(methylamino)butanamide
SMILESCNCCCC(=O)Nc1nc(-c2ccc(C)c(C)c2)cs1
InChIInChI=1S/C16H21N3OS/c1-11-6-7-13(9-12(11)2)14-10-21-16(18-14)19-15(20)5-4-8-17-3/h6-7,9-10,17H,4-5,8H2,1-3H3,(H,18,19,20)
InChIKeyTYTXOTVFEKEXMD-UHFFFAOYSA-N
MW303.43 g/mol
LogP3.37
Rot. Bonds6

About N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-4-(methylamino)butanamide

N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-4-(methylamino)butanamide (PubChem CID 119677128) has the molecular formula C16H21N3OS and a molecular weight of 303.43 g/mol. Its IUPAC name is N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-4-(methylamino)butanamide.

Molecular Properties

Compound NameN-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-4-(methylamino)butanamide
PubChem CID119677128
Molecular FormulaC16H21N3OS
Molecular Weight303.43 g/mol
Exact Mass303.14
IUPAC NameN-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-4-(methylamino)butanamide
SMILESCNCCCC(=O)Nc1nc(-c2ccc(C)c(C)c2)cs1
InChIInChI=1S/C16H21N3OS/c1-11-6-7-13(9-12(11)2)14-10-21-16(18-14)19-15(20)5-4-8-17-3/h6-7,9-10,17H,4-5,8H2,1-3H3,(H,18,19,20)
InChIKeyTYTXOTVFEKEXMD-UHFFFAOYSA-N
XLogP3.37
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 53.37
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-(4-methylphenoxy)butanamide
CID 7915421
3-chloro-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]propanamide
CID 19183949
N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]-4-(methylamino)butanamide
CID 119687104
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-4-(4-methylphenyl)sulfanylbutanamide
CID 41086080
4-(2,5-dimethylphenoxy)-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]butanamide
CID 19184106
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-4-(4-methoxyphenyl)sulfonylbutanamide
CID 41273735
3-(4-tert-butylphenyl)-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]propanamide
CID 19221286
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-methyl-3-(methylamino)propanamide
CID 119677142
3-(benzenesulfonyl)-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]propanamide
CID 7202561
2-(4-bromophenyl)-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 7915491
methyl 4-[2-[4-(methylamino)butanoylamino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxylate;hydrochloride
CID 119702153
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-[methyl(propan-2-yl)amino]acetamide
CID 55437142

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-4-(methylamino)butanamide?
The IUPAC name of N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-4-(methylamino)butanamide (CID 119677128) is N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-4-(methylamino)butanamide.
What is the SMILES notation for N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-4-(methylamino)butanamide?
The canonical SMILES for N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-4-(methylamino)butanamide is CNCCCC(=O)Nc1nc(-c2ccc(C)c(C)c2)cs1.
What is the InChIKey of N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-4-(methylamino)butanamide?
The InChIKey is TYTXOTVFEKEXMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3OS/c1-11-6-7-13(9-12(11)2)14-10-21-16(18-14)19-15(20)5-4-8-17-3/h6-7,9-10,17H,4-5,8H2,1-3H3,(H,18,19,20).
What are the key properties of N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-4-(methylamino)butanamide?
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-4-(methylamino)butanamide has a molecular weight of 303.43 g/mol, XLogP of 3.37, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-4-(methylamino)butanamide is sourced from PubChem (CID 119677128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).