N-[4-[2-(2-methoxyethylamino)-1,3-thiazol-4-yl]phenyl]-3-methylbutanamide

C17H23N3O2S — CID 8962073

IUPACN-[4-[2-(2-methoxyethylamino)-1,3-thiazol-4-yl]phenyl]-3-methylbutanamide
SMILESCOCCNc1nc(-c2ccc(NC(=O)CC(C)C)cc2)cs1
InChIInChI=1S/C17H23N3O2S/c1-12(2)10-16(21)19-14-6-4-13(5-7-14)15-11-23-17(20-15)18-8-9-22-3/h4-7,11-12H,8-10H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyQTIVQASGJMMIKU-UHFFFAOYSA-N
MW333.46 g/mol
LogP3.85
Rot. Bonds8

About N-[4-[2-(2-methoxyethylamino)-1,3-thiazol-4-yl]phenyl]-3-methylbutanamide

N-[4-[2-(2-methoxyethylamino)-1,3-thiazol-4-yl]phenyl]-3-methylbutanamide (PubChem CID 8962073) has the molecular formula C17H23N3O2S and a molecular weight of 333.46 g/mol. Its IUPAC name is N-[4-[2-(2-methoxyethylamino)-1,3-thiazol-4-yl]phenyl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[4-[2-(2-methoxyethylamino)-1,3-thiazol-4-yl]phenyl]-3-methylbutanamide
PubChem CID8962073
Molecular FormulaC17H23N3O2S
Molecular Weight333.46 g/mol
Exact Mass333.15
IUPAC NameN-[4-[2-(2-methoxyethylamino)-1,3-thiazol-4-yl]phenyl]-3-methylbutanamide
SMILESCOCCNc1nc(-c2ccc(NC(=O)CC(C)C)cc2)cs1
InChIInChI=1S/C17H23N3O2S/c1-12(2)10-16(21)19-14-6-4-13(5-7-14)15-11-23-17(20-15)18-8-9-22-3/h4-7,11-12H,8-10H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyQTIVQASGJMMIKU-UHFFFAOYSA-N
XLogP3.85
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-N-[4-[4-(propanoylamino)phenyl]-1,3-thiazol-2-yl]butanamide
CID 17444226
N-[4-[2-[(2-acetamidoacetyl)amino]-1,3-thiazol-4-yl]phenyl]-3-methylbutanamide
CID 167788022
N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-3-methylbutanamide
CID 4232837
N-(2-methoxyethyl)-4-pyridin-4-yl-1,3-thiazol-2-amine
CID 62941456
N-[4-[2-(2-methoxyethylamino)-1,3-thiazol-4-yl]-2-methylsulfanylphenyl]acetamide
CID 47061837
N-[4-[[2-(2-methoxyethylamino)acetyl]amino]phenyl]-3-methylbutanamide
CID 54819837
methyl 6-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]amino]hexanoate
CID 17396535
3-methyl-N-[4-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenyl]butanamide
CID 2444445
N-[4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-1,3-thiazol-4-yl]phenyl]benzamide
CID 8750419
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-4-methylpentanamide
CID 26893941
2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 2466930
2-methoxy-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 51239098

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(2-methoxyethylamino)-1,3-thiazol-4-yl]phenyl]-3-methylbutanamide?
The IUPAC name of N-[4-[2-(2-methoxyethylamino)-1,3-thiazol-4-yl]phenyl]-3-methylbutanamide (CID 8962073) is N-[4-[2-(2-methoxyethylamino)-1,3-thiazol-4-yl]phenyl]-3-methylbutanamide.
What is the SMILES notation for N-[4-[2-(2-methoxyethylamino)-1,3-thiazol-4-yl]phenyl]-3-methylbutanamide?
The canonical SMILES for N-[4-[2-(2-methoxyethylamino)-1,3-thiazol-4-yl]phenyl]-3-methylbutanamide is COCCNc1nc(-c2ccc(NC(=O)CC(C)C)cc2)cs1.
What is the InChIKey of N-[4-[2-(2-methoxyethylamino)-1,3-thiazol-4-yl]phenyl]-3-methylbutanamide?
The InChIKey is QTIVQASGJMMIKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2S/c1-12(2)10-16(21)19-14-6-4-13(5-7-14)15-11-23-17(20-15)18-8-9-22-3/h4-7,11-12H,8-10H2,1-3H3,(H,18,20)(H,19,21).
What are the key properties of N-[4-[2-(2-methoxyethylamino)-1,3-thiazol-4-yl]phenyl]-3-methylbutanamide?
N-[4-[2-(2-methoxyethylamino)-1,3-thiazol-4-yl]phenyl]-3-methylbutanamide has a molecular weight of 333.46 g/mol, XLogP of 3.85, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(2-methoxyethylamino)-1,3-thiazol-4-yl]phenyl]-3-methylbutanamide is sourced from PubChem (CID 8962073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).