N-[4-[2-ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]butanamide

C21H23N3OS — CID 10155744

IUPACN-[4-[2-ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]butanamide
SMILESCCCC(=O)Nc1cc(-c2sc(CC)nc2-c2cccc(C)c2)ccn1
InChIInChI=1S/C21H23N3OS/c1-4-7-18(25)23-17-13-16(10-11-22-17)21-20(24-19(5-2)26-21)15-9-6-8-14(3)12-15/h6,8-13H,4-5,7H2,1-3H3,(H,22,23,25)
InChIKeyBMOINXPPDNBEDH-UHFFFAOYSA-N
MW365.50 g/mol
LogP5.48
Rot. Bonds6

About N-[4-[2-ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]butanamide

N-[4-[2-ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]butanamide (PubChem CID 10155744) has the molecular formula C21H23N3OS and a molecular weight of 365.50 g/mol. Its IUPAC name is N-[4-[2-ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]butanamide.

Molecular Properties

Compound NameN-[4-[2-ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]butanamide
PubChem CID10155744
Molecular FormulaC21H23N3OS
Molecular Weight365.50 g/mol
Exact Mass365.16
IUPAC NameN-[4-[2-ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]butanamide
SMILESCCCC(=O)Nc1cc(-c2sc(CC)nc2-c2cccc(C)c2)ccn1
InChIInChI=1S/C21H23N3OS/c1-4-7-18(25)23-17-13-16(10-11-22-17)21-20(24-19(5-2)26-21)15-9-6-8-14(3)12-15/h6,8-13H,4-5,7H2,1-3H3,(H,22,23,25)
InChIKeyBMOINXPPDNBEDH-UHFFFAOYSA-N
XLogP5.48
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.50
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-(Aminosulfonyl)-4-methyl-1,3-thiazol-2-yl)-N-methyl-2-(4-(2-pyridinyl)phenyl)acetamide
CID 491941
Tak-715
CID 9952773
Stf-62247
CID 704473
N-[4-(3,5-dimethylphenyl)-5-(4-pyridyl)-1,3-thiazol-2-yl]nicotinamide
CID 22282339
N-(4-phenyl-1,3-thiazol-2-yl)pyridine-4-carboxamide
CID 790259
(4-Phenyl-thiazol-2-yl)-pyridin-2-yl-amine
CID 750531
Acetamide, N-[4-[2-(2-pyridinylamino)-4-thiazolyl]phenyl]-
CID 973066
3-Pyridinecarboxamide, N-(4-phenyl-2-thiazolyl)-
CID 203433
N-(2-ethylphenyl)-4-(pyridin-3-yl)-1,3-thiazol-2-amine
CID 746667
N-(4-Pyridin-2-yl-thiazol-2-yl)-benzamide
CID 4119262
N-(1,3-Thiazol-2-yl)pyridin-2-amine 13
CID 5329326
N-(5-methylpyridin-2-yl)-5-phenyl-1,3-thiazol-2-amine
CID 5329393

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]butanamide?
The IUPAC name of N-[4-[2-ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]butanamide (CID 10155744) is N-[4-[2-ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]butanamide.
What is the SMILES notation for N-[4-[2-ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]butanamide?
The canonical SMILES for N-[4-[2-ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]butanamide is CCCC(=O)Nc1cc(-c2sc(CC)nc2-c2cccc(C)c2)ccn1.
What is the InChIKey of N-[4-[2-ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]butanamide?
The InChIKey is BMOINXPPDNBEDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3OS/c1-4-7-18(25)23-17-13-16(10-11-22-17)21-20(24-19(5-2)26-21)15-9-6-8-14(3)12-15/h6,8-13H,4-5,7H2,1-3H3,(H,22,23,25).
What are the key properties of N-[4-[2-ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]butanamide?
N-[4-[2-ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]butanamide has a molecular weight of 365.50 g/mol, XLogP of 5.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]butanamide is sourced from PubChem (CID 10155744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).