2,2-dimethyl-N-[4-(5-methyl-2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]propanamide

C19H25N3OS — CID 8750603

IUPAC2,2-dimethyl-N-[4-(5-methyl-2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]propanamide
SMILESCc1sc(N2CCCC2)nc1-c1ccc(NC(=O)C(C)(C)C)cc1
InChIInChI=1S/C19H25N3OS/c1-13-16(21-18(24-13)22-11-5-6-12-22)14-7-9-15(10-8-14)20-17(23)19(2,3)4/h7-10H,5-6,11-12H2,1-4H3,(H,20,23)
InChIKeyPVIAJAGQLQUVKA-UHFFFAOYSA-N
MW343.50 g/mol
LogP4.70
Rot. Bonds3

About 2,2-dimethyl-N-[4-(5-methyl-2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]propanamide

2,2-dimethyl-N-[4-(5-methyl-2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]propanamide (PubChem CID 8750603) has the molecular formula C19H25N3OS and a molecular weight of 343.50 g/mol. Its IUPAC name is 2,2-dimethyl-N-[4-(5-methyl-2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[4-(5-methyl-2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]propanamide
PubChem CID8750603
Molecular FormulaC19H25N3OS
Molecular Weight343.50 g/mol
Exact Mass343.17
IUPAC Name2,2-dimethyl-N-[4-(5-methyl-2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]propanamide
SMILESCc1sc(N2CCCC2)nc1-c1ccc(NC(=O)C(C)(C)C)cc1
InChIInChI=1S/C19H25N3OS/c1-13-16(21-18(24-13)22-11-5-6-12-22)14-7-9-15(10-8-14)20-17(23)19(2,3)4/h7-10H,5-6,11-12H2,1-4H3,(H,20,23)
InChIKeyPVIAJAGQLQUVKA-UHFFFAOYSA-N
XLogP4.70
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.50
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-dimethyl-N-[4-[5-methyl-2-(4-methylpiperazin-4-ium-1-yl)-1,3-thiazol-4-yl]phenyl]propanamide
CID 9356426
N-[4-(2,5-dimethyl-1,3-thiazol-4-yl)phenyl]-2,2-dimethylpropanamide
CID 9356294
5-methyl-4-phenyl-2-piperidin-1-yl-1,3-thiazole
CID 129303200
N-(4-methylphenyl)-4-phenyl-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide
CID 18859801
methyl 6-[[4-[4-(2,2-dimethylpropanoylamino)phenyl]-5-methyl-1,3-thiazol-2-yl]amino]hexanoate
CID 9422564
4-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]thiomorpholine
CID 86880810
2-[4-(2,2-dimethylpropanoylamino)phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 39163891
2,2-dimethyl-N-[4-[(2-pyrrolidin-1-ylacetyl)amino]phenyl]propanamide
CID 858395
N-[6-(azepan-1-yl)-3-pyridinyl]-2,2-dimethylpropanamide
CID 113015875
2,2-dimethyl-N-(4-methylphenyl)-N'-(4-pyrrolidin-1-ylphenyl)propanediamide
CID 108967489
N-[4-[5-methyl-2-(methylamino)-1,3-thiazol-4-yl]phenyl]acetamide
CID 9356378
N-(4-methylphenyl)-2-piperidin-1-yl-1,3-benzothiazole-6-carboxamide
CID 46261514

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[4-(5-methyl-2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[4-(5-methyl-2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]propanamide (CID 8750603) is 2,2-dimethyl-N-[4-(5-methyl-2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[4-(5-methyl-2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[4-(5-methyl-2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]propanamide is Cc1sc(N2CCCC2)nc1-c1ccc(NC(=O)C(C)(C)C)cc1.
What is the InChIKey of 2,2-dimethyl-N-[4-(5-methyl-2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]propanamide?
The InChIKey is PVIAJAGQLQUVKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3OS/c1-13-16(21-18(24-13)22-11-5-6-12-22)14-7-9-15(10-8-14)20-17(23)19(2,3)4/h7-10H,5-6,11-12H2,1-4H3,(H,20,23).
What are the key properties of 2,2-dimethyl-N-[4-(5-methyl-2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]propanamide?
2,2-dimethyl-N-[4-(5-methyl-2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]propanamide has a molecular weight of 343.50 g/mol, XLogP of 4.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[4-(5-methyl-2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]propanamide is sourced from PubChem (CID 8750603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).