N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-pyrrolidin-1-ylacetamide

C16H19N3O2S — CID 9274833

IUPACN-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-pyrrolidin-1-ylacetamide
SMILESCOc1ccc(-c2csc(NC(=O)CN3CCCC3)n2)cc1
InChIInChI=1S/C16H19N3O2S/c1-21-13-6-4-12(5-7-13)14-11-22-16(17-14)18-15(20)10-19-8-2-3-9-19/h4-7,11H,2-3,8-10H2,1H3,(H,17,18,20)
InChIKeyUUYKAZMGOMKARY-UHFFFAOYSA-N
MW317.41 g/mol
LogP2.85
Rot. Bonds5

About N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-pyrrolidin-1-ylacetamide

N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-pyrrolidin-1-ylacetamide (PubChem CID 9274833) has the molecular formula C16H19N3O2S and a molecular weight of 317.41 g/mol. Its IUPAC name is N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-pyrrolidin-1-ylacetamide.

Molecular Properties

Compound NameN-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-pyrrolidin-1-ylacetamide
PubChem CID9274833
Molecular FormulaC16H19N3O2S
Molecular Weight317.41 g/mol
Exact Mass317.12
IUPAC NameN-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-pyrrolidin-1-ylacetamide
SMILESCOc1ccc(-c2csc(NC(=O)CN3CCCC3)n2)cc1
InChIInChI=1S/C16H19N3O2S/c1-21-13-6-4-12(5-7-13)14-11-22-16(17-14)18-15(20)10-19-8-2-3-9-19/h4-7,11H,2-3,8-10H2,1H3,(H,17,18,20)
InChIKeyUUYKAZMGOMKARY-UHFFFAOYSA-N
XLogP2.85
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

T16AInh-A01
CID 135460621
2-Amino-4-(4-methoxyphenyl)thiazole
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4-(3-Fluoro-4-methoxyphenyl)-2-thiazolamine
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CID 862702
1-(4-(4-Methoxyphenyl)thiazol-2-yl)-3-phenylurea
CID 930415
4-[4-(4-Methoxyphenyl)-1,3-thiazol-2-yl]thiomorpholine
CID 1490762
N-cyclohexyl-4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-amine
CID 2620735
(2S)-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)propanamide
CID 16245514

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-pyrrolidin-1-ylacetamide?
The IUPAC name of N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-pyrrolidin-1-ylacetamide (CID 9274833) is N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-pyrrolidin-1-ylacetamide.
What is the SMILES notation for N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-pyrrolidin-1-ylacetamide?
The canonical SMILES for N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-pyrrolidin-1-ylacetamide is COc1ccc(-c2csc(NC(=O)CN3CCCC3)n2)cc1.
What is the InChIKey of N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-pyrrolidin-1-ylacetamide?
The InChIKey is UUYKAZMGOMKARY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2S/c1-21-13-6-4-12(5-7-13)14-11-22-16(17-14)18-15(20)10-19-8-2-3-9-19/h4-7,11H,2-3,8-10H2,1H3,(H,17,18,20).
What are the key properties of N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-pyrrolidin-1-ylacetamide?
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-pyrrolidin-1-ylacetamide has a molecular weight of 317.41 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-pyrrolidin-1-ylacetamide is sourced from PubChem (CID 9274833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).