N-[4-[[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-methylacetamide

C17H25N5OS — CID 56780570

IUPACN-[4-[[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-methylacetamide
SMILESCC(=O)N(C)c1nc(CN2CCCC2Cn2nc(C)cc2C)cs1
InChIInChI=1S/C17H25N5OS/c1-12-8-13(2)22(19-12)10-16-6-5-7-21(16)9-15-11-24-17(18-15)20(4)14(3)23/h8,11,16H,5-7,9-10H2,1-4H3
InChIKeySTOFGWJYFVQCOC-UHFFFAOYSA-N
MW347.49 g/mol
LogP2.60
Rot. Bonds5

About N-[4-[[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-methylacetamide

N-[4-[[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-methylacetamide (PubChem CID 56780570) has the molecular formula C17H25N5OS and a molecular weight of 347.49 g/mol. Its IUPAC name is N-[4-[[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-[4-[[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-methylacetamide
PubChem CID56780570
Molecular FormulaC17H25N5OS
Molecular Weight347.49 g/mol
Exact Mass347.18
IUPAC NameN-[4-[[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-methylacetamide
SMILESCC(=O)N(C)c1nc(CN2CCCC2Cn2nc(C)cc2C)cs1
InChIInChI=1S/C17H25N5OS/c1-12-8-13(2)22(19-12)10-16-6-5-7-21(16)9-15-11-24-17(18-15)20(4)14(3)23/h8,11,16H,5-7,9-10H2,1-4H3
InChIKeySTOFGWJYFVQCOC-UHFFFAOYSA-N
XLogP2.60
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.49
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[[2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 53555391
1-[2-[(3,5-Dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-3-(1,3-thiazol-4-yl)propan-1-one
CID 53623882
1-[2-[(3,5-Dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 56779489
N-[4-[3-(3,5-dimethylpyrazol-1-yl)piperidine-1-carbonyl]-1,3-thiazol-2-yl]acetamide
CID 72142629
N-(4-(2-amino-2-oxoethyl)thiazol-2-yl)-2-(3,5-dimethyl-1H-pyrazol-1-yl)acetamide
CID 49720286
2-[3,5-Dimethyl-1-(4-methyl-1,3-thiazol-2-YL)-1H-pyrazol-4-YL]-1-(pyrrolidin-1-YL)ethan-1-one
CID 53003388
1-(Azepan-1-YL)-2-[2-(3,5-dimethyl-1H-pyrazol-1-YL)-1,3-thiazol-4-YL]ethan-1-one
CID 46265279
N-cyclopropyl-3-(3,5-dimethylpyrazol-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 72129064
3-(2-amino-1,3-thiazol-4-yl)-N-[(2S)-2-(3,5-dimethylpyrazol-1-yl)propyl]propanamide
CID 97853130
2-[3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide
CID 5143326
N-(4-methyl-1,3-thiazol-2-yl)-2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamide
CID 19579726
1-[4-(4-Amino-1,3-thiazol-2-yl)piperazin-1-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone
CID 67608550

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-methylacetamide?
The IUPAC name of N-[4-[[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-methylacetamide (CID 56780570) is N-[4-[[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-methylacetamide.
What is the SMILES notation for N-[4-[[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-methylacetamide?
The canonical SMILES for N-[4-[[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-methylacetamide is CC(=O)N(C)c1nc(CN2CCCC2Cn2nc(C)cc2C)cs1.
What is the InChIKey of N-[4-[[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-methylacetamide?
The InChIKey is STOFGWJYFVQCOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5OS/c1-12-8-13(2)22(19-12)10-16-6-5-7-21(16)9-15-11-24-17(18-15)20(4)14(3)23/h8,11,16H,5-7,9-10H2,1-4H3.
What are the key properties of N-[4-[[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-methylacetamide?
N-[4-[[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-methylacetamide has a molecular weight of 347.49 g/mol, XLogP of 2.60, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-methylacetamide is sourced from PubChem (CID 56780570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).