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

C18H23N3OS — CID 810349

IUPAC3-methyl-N-[3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]butanamide
SMILESCC(C)CC(=O)Nc1cccc(-c2csc(N3CCCC3)n2)c1
InChIInChI=1S/C18H23N3OS/c1-13(2)10-17(22)19-15-7-5-6-14(11-15)16-12-23-18(20-16)21-8-3-4-9-21/h5-7,11-13H,3-4,8-10H2,1-2H3,(H,19,22)
InChIKeyDIZFCZUYXSQPMJ-UHFFFAOYSA-N
MW329.47 g/mol
LogP4.39
Rot. Bonds5

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

3-methyl-N-[3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]butanamide (PubChem CID 810349) has the molecular formula C18H23N3OS and a molecular weight of 329.47 g/mol. Its IUPAC name is 3-methyl-N-[3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]butanamide.

Molecular Properties

Compound Name3-methyl-N-[3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]butanamide
PubChem CID810349
Molecular FormulaC18H23N3OS
Molecular Weight329.47 g/mol
Exact Mass329.16
IUPAC Name3-methyl-N-[3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]butanamide
SMILESCC(C)CC(=O)Nc1cccc(-c2csc(N3CCCC3)n2)c1
InChIInChI=1S/C18H23N3OS/c1-13(2)10-17(22)19-15-7-5-6-14(11-15)16-12-23-18(20-16)21-8-3-4-9-21/h5-7,11-13H,3-4,8-10H2,1-2H3,(H,19,22)
InChIKeyDIZFCZUYXSQPMJ-UHFFFAOYSA-N
XLogP4.39
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-[4-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenyl]butanamide
CID 2444445
2-methoxy-N-[3-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenyl]acetamide
CID 810541
N-[3-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenyl]nonanamide
CID 42663636
2-(4-fluorophenyl)-N-[3-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenyl]acetamide
CID 4267628
(2S)-2-phenyl-N-[3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]butanamide
CID 7265294
(2R)-2-phenyl-N-[3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]butanamide
CID 7265295
2-(4-chlorophenoxy)-N-[3-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenyl]acetamide
CID 1195308
(2S)-2-ethyl-N-[3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]hexanamide
CID 7411488
4-phenyl-N-[3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]benzamide
CID 3443960
4-bromo-N-[3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]benzamide
CID 4215740
3-bromo-N-[3-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenyl]benzamide
CID 1195316
3-[2-(azepan-1-yl)-1,3-thiazol-4-yl]benzoic acid
CID 79156493

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]butanamide?
The IUPAC name of 3-methyl-N-[3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]butanamide (CID 810349) is 3-methyl-N-[3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]butanamide.
What is the SMILES notation for 3-methyl-N-[3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]butanamide?
The canonical SMILES for 3-methyl-N-[3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]butanamide is CC(C)CC(=O)Nc1cccc(-c2csc(N3CCCC3)n2)c1.
What is the InChIKey of 3-methyl-N-[3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]butanamide?
The InChIKey is DIZFCZUYXSQPMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3OS/c1-13(2)10-17(22)19-15-7-5-6-14(11-15)16-12-23-18(20-16)21-8-3-4-9-21/h5-7,11-13H,3-4,8-10H2,1-2H3,(H,19,22).
What are the key properties of 3-methyl-N-[3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]butanamide?
3-methyl-N-[3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]butanamide has a molecular weight of 329.47 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]butanamide is sourced from PubChem (CID 810349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).