N-[4-[2-(diethylamino)-1,3-thiazol-4-yl]phenyl]-2-methylpropanamide

C17H23N3OS — CID 810454

IUPACN-[4-[2-(diethylamino)-1,3-thiazol-4-yl]phenyl]-2-methylpropanamide
SMILESCCN(CC)c1nc(-c2ccc(NC(=O)C(C)C)cc2)cs1
InChIInChI=1S/C17H23N3OS/c1-5-20(6-2)17-19-15(11-22-17)13-7-9-14(10-8-13)18-16(21)12(3)4/h7-12H,5-6H2,1-4H3,(H,18,21)
InChIKeyQOBXTQNXGBILMY-UHFFFAOYSA-N
MW317.46 g/mol
LogP4.25
Rot. Bonds6

About N-[4-[2-(diethylamino)-1,3-thiazol-4-yl]phenyl]-2-methylpropanamide

N-[4-[2-(diethylamino)-1,3-thiazol-4-yl]phenyl]-2-methylpropanamide (PubChem CID 810454) has the molecular formula C17H23N3OS and a molecular weight of 317.46 g/mol. Its IUPAC name is N-[4-[2-(diethylamino)-1,3-thiazol-4-yl]phenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[4-[2-(diethylamino)-1,3-thiazol-4-yl]phenyl]-2-methylpropanamide
PubChem CID810454
Molecular FormulaC17H23N3OS
Molecular Weight317.46 g/mol
Exact Mass317.16
IUPAC NameN-[4-[2-(diethylamino)-1,3-thiazol-4-yl]phenyl]-2-methylpropanamide
SMILESCCN(CC)c1nc(-c2ccc(NC(=O)C(C)C)cc2)cs1
InChIInChI=1S/C17H23N3OS/c1-5-20(6-2)17-19-15(11-22-17)13-7-9-14(10-8-13)18-16(21)12(3)4/h7-12H,5-6H2,1-4H3,(H,18,21)
InChIKeyQOBXTQNXGBILMY-UHFFFAOYSA-N
XLogP4.25
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.46
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[2-[benzyl(methyl)amino]-1,3-thiazol-4-yl]phenyl]-2-methylpropanamide
CID 42765930
N-[4-[2-[2-(4-ethylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]phenyl]-2-methylpropanamide
CID 9343938
2-(methylamino)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide
CID 55096711
2-methyl-N-[4-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]propanamide
CID 810330
2-amino-4-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]pentanamide
CID 61273999
(2S,3S)-2-amino-3-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]pentanamide
CID 61274193
2-(aminomethyl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide
CID 65228872
(2R)-2-amino-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]pentanamide
CID 103794256
(2R)-N-(4-acetamidophenyl)-2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]propanamide
CID 25407937
2-amino-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]butanediamide
CID 61273443
(2S)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-phenylbutanamide
CID 7366669
3-amino-2-methoxy-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide
CID 106112438

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(diethylamino)-1,3-thiazol-4-yl]phenyl]-2-methylpropanamide?
The IUPAC name of N-[4-[2-(diethylamino)-1,3-thiazol-4-yl]phenyl]-2-methylpropanamide (CID 810454) is N-[4-[2-(diethylamino)-1,3-thiazol-4-yl]phenyl]-2-methylpropanamide.
What is the SMILES notation for N-[4-[2-(diethylamino)-1,3-thiazol-4-yl]phenyl]-2-methylpropanamide?
The canonical SMILES for N-[4-[2-(diethylamino)-1,3-thiazol-4-yl]phenyl]-2-methylpropanamide is CCN(CC)c1nc(-c2ccc(NC(=O)C(C)C)cc2)cs1.
What is the InChIKey of N-[4-[2-(diethylamino)-1,3-thiazol-4-yl]phenyl]-2-methylpropanamide?
The InChIKey is QOBXTQNXGBILMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3OS/c1-5-20(6-2)17-19-15(11-22-17)13-7-9-14(10-8-13)18-16(21)12(3)4/h7-12H,5-6H2,1-4H3,(H,18,21).
What are the key properties of N-[4-[2-(diethylamino)-1,3-thiazol-4-yl]phenyl]-2-methylpropanamide?
N-[4-[2-(diethylamino)-1,3-thiazol-4-yl]phenyl]-2-methylpropanamide has a molecular weight of 317.46 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(diethylamino)-1,3-thiazol-4-yl]phenyl]-2-methylpropanamide is sourced from PubChem (CID 810454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).