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

C19H25N3OS — CID 810333

IUPAC3,3-dimethyl-N-[4-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]butanamide
SMILESCC(C)(C)CC(=O)Nc1ccc(-c2csc(N3CCCC3)n2)cc1
InChIInChI=1S/C19H25N3OS/c1-19(2,3)12-17(23)20-15-8-6-14(7-9-15)16-13-24-18(21-16)22-10-4-5-11-22/h6-9,13H,4-5,10-12H2,1-3H3,(H,20,23)
InChIKeyNTJOVAFWPARCOM-UHFFFAOYSA-N
MW343.50 g/mol
LogP4.78
Rot. Bonds4

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

3,3-dimethyl-N-[4-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]butanamide (PubChem CID 810333) has the molecular formula C19H25N3OS and a molecular weight of 343.50 g/mol. Its IUPAC name is 3,3-dimethyl-N-[4-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]butanamide.

Molecular Properties

Compound Name3,3-dimethyl-N-[4-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]butanamide
PubChem CID810333
Molecular FormulaC19H25N3OS
Molecular Weight343.50 g/mol
Exact Mass343.17
IUPAC Name3,3-dimethyl-N-[4-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]butanamide
SMILESCC(C)(C)CC(=O)Nc1ccc(-c2csc(N3CCCC3)n2)cc1
InChIInChI=1S/C19H25N3OS/c1-19(2,3)12-17(23)20-15-8-6-14(7-9-15)16-13-24-18(21-16)22-10-4-5-11-22/h6-9,13H,4-5,10-12H2,1-3H3,(H,20,23)
InChIKeyNTJOVAFWPARCOM-UHFFFAOYSA-N
XLogP4.78
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
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

Analyze 3,3-dimethyl-N-[4-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methyl-N-[4-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenyl]butanamide
CID 2444445
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
2-methyl-N-[4-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]propanamide
CID 810330
(2S)-2-ethyl-N-[4-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenyl]hexanamide
CID 7361956
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
N-[4-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]furan-2-carboxamide
CID 810332
1-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 46907660
3-methyl-N-[3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]butanamide
CID 810349
2-methoxy-N-[3-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenyl]acetamide
CID 810541
N-(4-ethoxyphenyl)-2-[4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]acetamide
CID 1438337

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-[4-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]butanamide?
The IUPAC name of 3,3-dimethyl-N-[4-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]butanamide (CID 810333) is 3,3-dimethyl-N-[4-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]butanamide.
What is the SMILES notation for 3,3-dimethyl-N-[4-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]butanamide?
The canonical SMILES for 3,3-dimethyl-N-[4-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]butanamide is CC(C)(C)CC(=O)Nc1ccc(-c2csc(N3CCCC3)n2)cc1.
What is the InChIKey of 3,3-dimethyl-N-[4-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]butanamide?
The InChIKey is NTJOVAFWPARCOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3OS/c1-19(2,3)12-17(23)20-15-8-6-14(7-9-15)16-13-24-18(21-16)22-10-4-5-11-22/h6-9,13H,4-5,10-12H2,1-3H3,(H,20,23).
What are the key properties of 3,3-dimethyl-N-[4-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]butanamide?
3,3-dimethyl-N-[4-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]butanamide has a molecular weight of 343.50 g/mol, XLogP of 4.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-[4-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]butanamide is sourced from PubChem (CID 810333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).