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

C17H21N3OS — CID 810330

IUPAC2-methyl-N-[4-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]propanamide
SMILESCC(C)C(=O)Nc1ccc(-c2csc(N3CCCC3)n2)cc1
InChIInChI=1S/C17H21N3OS/c1-12(2)16(21)18-14-7-5-13(6-8-14)15-11-22-17(19-15)20-9-3-4-10-20/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,18,21)
InChIKeySFKVQPKKYNRXPY-UHFFFAOYSA-N
MW315.44 g/mol
LogP4.00
Rot. Bonds4

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

2-methyl-N-[4-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]propanamide (PubChem CID 810330) has the molecular formula C17H21N3OS and a molecular weight of 315.44 g/mol. Its IUPAC name is 2-methyl-N-[4-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[4-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]propanamide
PubChem CID810330
Molecular FormulaC17H21N3OS
Molecular Weight315.44 g/mol
Exact Mass315.14
IUPAC Name2-methyl-N-[4-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]propanamide
SMILESCC(C)C(=O)Nc1ccc(-c2csc(N3CCCC3)n2)cc1
InChIInChI=1S/C17H21N3OS/c1-12(2)16(21)18-14-7-5-13(6-8-14)15-11-22-17(19-15)20-9-3-4-10-20/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,18,21)
InChIKeySFKVQPKKYNRXPY-UHFFFAOYSA-N
XLogP4.00
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 54.00
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
(2S)-2-ethyl-N-[4-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenyl]hexanamide
CID 7361956
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
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
2-chloro-2-fluoro-N-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]acetamide
CID 166427762
1-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 46907660
4-(2-piperidin-1-yl-1,3-thiazol-4-yl)benzoic acid
CID 58256899
2-methyl-N'-[2-[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]piperazin-1-yl]acetyl]propanehydrazide
CID 1447479
2-methyl-N'-[2-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-ium-1-yl]acetyl]propanehydrazide
CID 7435853

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]propanamide?
The IUPAC name of 2-methyl-N-[4-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]propanamide (CID 810330) is 2-methyl-N-[4-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]propanamide.
What is the SMILES notation for 2-methyl-N-[4-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]propanamide?
The canonical SMILES for 2-methyl-N-[4-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]propanamide is CC(C)C(=O)Nc1ccc(-c2csc(N3CCCC3)n2)cc1.
What is the InChIKey of 2-methyl-N-[4-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]propanamide?
The InChIKey is SFKVQPKKYNRXPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3OS/c1-12(2)16(21)18-14-7-5-13(6-8-14)15-11-22-17(19-15)20-9-3-4-10-20/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,18,21).
What are the key properties of 2-methyl-N-[4-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]propanamide?
2-methyl-N-[4-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]propanamide has a molecular weight of 315.44 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]propanamide is sourced from PubChem (CID 810330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).