2-methyl-N-[4-[5-methyl-2-(2-methylpropylamino)-1,3-thiazol-4-yl]phenyl]propanamide

C18H25N3OS — CID 9343336

IUPAC2-methyl-N-[4-[5-methyl-2-(2-methylpropylamino)-1,3-thiazol-4-yl]phenyl]propanamide
SMILESCc1sc(NCC(C)C)nc1-c1ccc(NC(=O)C(C)C)cc1
InChIInChI=1S/C18H25N3OS/c1-11(2)10-19-18-21-16(13(5)23-18)14-6-8-15(9-7-14)20-17(22)12(3)4/h6-9,11-12H,10H2,1-5H3,(H,19,21)(H,20,22)
InChIKeyCFYWVQARISXWRL-UHFFFAOYSA-N
MW331.49 g/mol
LogP4.78
Rot. Bonds6

About 2-methyl-N-[4-[5-methyl-2-(2-methylpropylamino)-1,3-thiazol-4-yl]phenyl]propanamide

2-methyl-N-[4-[5-methyl-2-(2-methylpropylamino)-1,3-thiazol-4-yl]phenyl]propanamide (PubChem CID 9343336) has the molecular formula C18H25N3OS and a molecular weight of 331.49 g/mol. Its IUPAC name is 2-methyl-N-[4-[5-methyl-2-(2-methylpropylamino)-1,3-thiazol-4-yl]phenyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[4-[5-methyl-2-(2-methylpropylamino)-1,3-thiazol-4-yl]phenyl]propanamide
PubChem CID9343336
Molecular FormulaC18H25N3OS
Molecular Weight331.49 g/mol
Exact Mass331.17
IUPAC Name2-methyl-N-[4-[5-methyl-2-(2-methylpropylamino)-1,3-thiazol-4-yl]phenyl]propanamide
SMILESCc1sc(NCC(C)C)nc1-c1ccc(NC(=O)C(C)C)cc1
InChIInChI=1S/C18H25N3OS/c1-11(2)10-19-18-21-16(13(5)23-18)14-6-8-15(9-7-14)20-17(22)12(3)4/h6-9,11-12H,10H2,1-5H3,(H,19,21)(H,20,22)
InChIKeyCFYWVQARISXWRL-UHFFFAOYSA-N
XLogP4.78
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.49
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-methylpropanamide
CID 4615365
N-[4-[5-methyl-2-(methylamino)-1,3-thiazol-4-yl]phenyl]acetamide
CID 9356378
N-[4-[2-(2-methoxyethylamino)-5-methyl-1,3-thiazol-4-yl]phenyl]acetamide
CID 9356331
2-methyl-3-(methylamino)-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]propanamide;hydrochloride
CID 119681505
N-[4-(2,5-dimethyl-1,3-thiazol-4-yl)phenyl]-2,2-dimethylpropanamide
CID 9356294
N-[4-(3-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-methylpropanamide
CID 19194860
(2R)-N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-methylbutanamide
CID 25495361
N-[4-[2-(3-ethoxypropylamino)-5-methyl-1,3-thiazol-4-yl]phenyl]acetamide
CID 9232326
N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119681461
2-(4-acetamidophenyl)-N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
CID 27990329
(2S)-2-amino-3-methyl-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]butanamide;hydrochloride
CID 119267022
methyl 6-[[4-[4-(2,2-dimethylpropanoylamino)phenyl]-5-methyl-1,3-thiazol-2-yl]amino]hexanoate
CID 9422564

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-[5-methyl-2-(2-methylpropylamino)-1,3-thiazol-4-yl]phenyl]propanamide?
The IUPAC name of 2-methyl-N-[4-[5-methyl-2-(2-methylpropylamino)-1,3-thiazol-4-yl]phenyl]propanamide (CID 9343336) is 2-methyl-N-[4-[5-methyl-2-(2-methylpropylamino)-1,3-thiazol-4-yl]phenyl]propanamide.
What is the SMILES notation for 2-methyl-N-[4-[5-methyl-2-(2-methylpropylamino)-1,3-thiazol-4-yl]phenyl]propanamide?
The canonical SMILES for 2-methyl-N-[4-[5-methyl-2-(2-methylpropylamino)-1,3-thiazol-4-yl]phenyl]propanamide is Cc1sc(NCC(C)C)nc1-c1ccc(NC(=O)C(C)C)cc1.
What is the InChIKey of 2-methyl-N-[4-[5-methyl-2-(2-methylpropylamino)-1,3-thiazol-4-yl]phenyl]propanamide?
The InChIKey is CFYWVQARISXWRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3OS/c1-11(2)10-19-18-21-16(13(5)23-18)14-6-8-15(9-7-14)20-17(22)12(3)4/h6-9,11-12H,10H2,1-5H3,(H,19,21)(H,20,22).
What are the key properties of 2-methyl-N-[4-[5-methyl-2-(2-methylpropylamino)-1,3-thiazol-4-yl]phenyl]propanamide?
2-methyl-N-[4-[5-methyl-2-(2-methylpropylamino)-1,3-thiazol-4-yl]phenyl]propanamide has a molecular weight of 331.49 g/mol, XLogP of 4.78, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-[5-methyl-2-(2-methylpropylamino)-1,3-thiazol-4-yl]phenyl]propanamide is sourced from PubChem (CID 9343336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).