4-amino-N-methyl-N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]butanamide

C17H23N3OS — CID 119893005

IUPAC4-amino-N-methyl-N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]butanamide
SMILESCc1nc(-c2ccccc2)sc1C(C)N(C)C(=O)CCCN
InChIInChI=1S/C17H23N3OS/c1-12-16(13(2)20(3)15(21)10-7-11-18)22-17(19-12)14-8-5-4-6-9-14/h4-6,8-9,13H,7,10-11,18H2,1-3H3
InChIKeyQUYIHLOFMMRTLG-UHFFFAOYSA-N
MW317.46 g/mol
LogP3.38
Rot. Bonds6

About 4-amino-N-methyl-N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]butanamide

4-amino-N-methyl-N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]butanamide (PubChem CID 119893005) has the molecular formula C17H23N3OS and a molecular weight of 317.46 g/mol. Its IUPAC name is 4-amino-N-methyl-N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]butanamide.

Molecular Properties

Compound Name4-amino-N-methyl-N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]butanamide
PubChem CID119893005
Molecular FormulaC17H23N3OS
Molecular Weight317.46 g/mol
Exact Mass317.16
IUPAC Name4-amino-N-methyl-N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]butanamide
SMILESCc1nc(-c2ccccc2)sc1C(C)N(C)C(=O)CCCN
InChIInChI=1S/C17H23N3OS/c1-12-16(13(2)20(3)15(21)10-7-11-18)22-17(19-12)14-8-5-4-6-9-14/h4-6,8-9,13H,7,10-11,18H2,1-3H3
InChIKeyQUYIHLOFMMRTLG-UHFFFAOYSA-N
XLogP3.38
TPSA59.22 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 ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-3-methoxy-N-methyl-N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]butanamide;dihydrochloride
CID 120597190
4-amino-N-[1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethyl]-N-methylbutanamide
CID 119892961
2-(aminomethyl)-N-methyl-N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 119892993
4-[[methyl-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]carbamoyl]amino]butanoic acid
CID 122023171
4-amino-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]butanamide
CID 60962681
4-amino-N-[1-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]butanamide;hydrochloride
CID 119325852
3-(2-aminophenyl)-N-[1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethyl]-N-methylpropanamide
CID 120613336
4-[3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl-methylamino]-3-oxopropyl]benzoic acid
CID 119184527
(2R)-2-[[(1S)-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]amino]butanamide
CID 95624526
2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)butan-1-amine
CID 116887194
3-methyl-N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]butanamide
CID 60568920
4-[3-[methyl-[1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethyl]amino]-3-oxopropyl]benzoic acid
CID 120551430

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-methyl-N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]butanamide?
The IUPAC name of 4-amino-N-methyl-N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]butanamide (CID 119893005) is 4-amino-N-methyl-N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]butanamide.
What is the SMILES notation for 4-amino-N-methyl-N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]butanamide?
The canonical SMILES for 4-amino-N-methyl-N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]butanamide is Cc1nc(-c2ccccc2)sc1C(C)N(C)C(=O)CCCN.
What is the InChIKey of 4-amino-N-methyl-N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]butanamide?
The InChIKey is QUYIHLOFMMRTLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3OS/c1-12-16(13(2)20(3)15(21)10-7-11-18)22-17(19-12)14-8-5-4-6-9-14/h4-6,8-9,13H,7,10-11,18H2,1-3H3.
What are the key properties of 4-amino-N-methyl-N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]butanamide?
4-amino-N-methyl-N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]butanamide has a molecular weight of 317.46 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-methyl-N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]butanamide is sourced from PubChem (CID 119893005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).