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

C19H25N3OS — CID 2444445

IUPAC3-methyl-N-[4-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenyl]butanamide
SMILESCC(C)CC(=O)Nc1ccc(-c2csc(N3CCCCC3)n2)cc1
InChIInChI=1S/C19H25N3OS/c1-14(2)12-18(23)20-16-8-6-15(7-9-16)17-13-24-19(21-17)22-10-4-3-5-11-22/h6-9,13-14H,3-5,10-12H2,1-2H3,(H,20,23)
InChIKeyBRTYPXQCYTZHOT-UHFFFAOYSA-N
MW343.50 g/mol
LogP4.78
Rot. Bonds5

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

3-methyl-N-[4-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenyl]butanamide (PubChem CID 2444445) has the molecular formula C19H25N3OS and a molecular weight of 343.50 g/mol. Its IUPAC name is 3-methyl-N-[4-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenyl]butanamide.

Molecular Properties

Compound Name3-methyl-N-[4-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenyl]butanamide
PubChem CID2444445
Molecular FormulaC19H25N3OS
Molecular Weight343.50 g/mol
Exact Mass343.17
IUPAC Name3-methyl-N-[4-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenyl]butanamide
SMILESCC(C)CC(=O)Nc1ccc(-c2csc(N3CCCCC3)n2)cc1
InChIInChI=1S/C19H25N3OS/c1-14(2)12-18(23)20-16-8-6-15(7-9-16)17-13-24-19(21-17)22-10-4-3-5-11-22/h6-9,13-14H,3-5,10-12H2,1-2H3,(H,20,23)
InChIKeyBRTYPXQCYTZHOT-UHFFFAOYSA-N
XLogP4.78
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.50
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-[3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]butanamide
CID 810349
2-methyl-N-[4-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]propanamide
CID 810330
3,3-dimethyl-N-[4-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]butanamide
CID 810333
2-phenyl-N-[4-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]acetamide
CID 4224043
N-[4-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]decanamide
CID 3976277
(2S)-2-ethyl-N-[4-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenyl]hexanamide
CID 7361956
3-methyl-N-[4-[4-(propanoylamino)phenyl]-1,3-thiazol-2-yl]butanamide
CID 17444226
4-(2-piperidin-1-yl-1,3-thiazol-4-yl)benzoic acid
CID 58256899
N-[4-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]adamantane-1-carboxamide
CID 5138188
2-methoxy-N-[3-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenyl]acetamide
CID 810541
3-methyl-N-[4-[(2-piperidin-1-ylacetyl)amino]phenyl]butanamide
CID 54815187
N-[4-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]furan-2-carboxamide
CID 810332

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[4-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenyl]butanamide?
The IUPAC name of 3-methyl-N-[4-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenyl]butanamide (CID 2444445) is 3-methyl-N-[4-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenyl]butanamide.
What is the SMILES notation for 3-methyl-N-[4-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenyl]butanamide?
The canonical SMILES for 3-methyl-N-[4-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenyl]butanamide is CC(C)CC(=O)Nc1ccc(-c2csc(N3CCCCC3)n2)cc1.
What is the InChIKey of 3-methyl-N-[4-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenyl]butanamide?
The InChIKey is BRTYPXQCYTZHOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3OS/c1-14(2)12-18(23)20-16-8-6-15(7-9-16)17-13-24-19(21-17)22-10-4-3-5-11-22/h6-9,13-14H,3-5,10-12H2,1-2H3,(H,20,23).
What are the key properties of 3-methyl-N-[4-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenyl]butanamide?
3-methyl-N-[4-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenyl]butanamide has a molecular weight of 343.50 g/mol, XLogP of 4.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[4-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenyl]butanamide is sourced from PubChem (CID 2444445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).