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

C17H21N3O2S — CID 44565722

IUPACN-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-pyrrolidin-1-ylpropanamide
SMILESCOc1ccc(-c2csc(NC(=O)CCN3CCCC3)n2)cc1
InChIInChI=1S/C17H21N3O2S/c1-22-14-6-4-13(5-7-14)15-12-23-17(18-15)19-16(21)8-11-20-9-2-3-10-20/h4-7,12H,2-3,8-11H2,1H3,(H,18,19,21)
InChIKeyYRVHWRSOZONPGM-UHFFFAOYSA-N
MW331.44 g/mol
LogP3.24
Rot. Bonds6

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

N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-pyrrolidin-1-ylpropanamide (PubChem CID 44565722) has the molecular formula C17H21N3O2S and a molecular weight of 331.44 g/mol. Its IUPAC name is N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-pyrrolidin-1-ylpropanamide.

Molecular Properties

Compound NameN-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-pyrrolidin-1-ylpropanamide
PubChem CID44565722
Molecular FormulaC17H21N3O2S
Molecular Weight331.44 g/mol
Exact Mass331.14
IUPAC NameN-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-pyrrolidin-1-ylpropanamide
SMILESCOc1ccc(-c2csc(NC(=O)CCN3CCCC3)n2)cc1
InChIInChI=1S/C17H21N3O2S/c1-22-14-6-4-13(5-7-14)15-12-23-17(18-15)19-16(21)8-11-20-9-2-3-10-20/h4-7,12H,2-3,8-11H2,1H3,(H,18,19,21)
InChIKeyYRVHWRSOZONPGM-UHFFFAOYSA-N
XLogP3.24
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-pyrrolidin-1-ylpropanamide?
The IUPAC name of N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-pyrrolidin-1-ylpropanamide (CID 44565722) is N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-pyrrolidin-1-ylpropanamide.
What is the SMILES notation for N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-pyrrolidin-1-ylpropanamide?
The canonical SMILES for N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-pyrrolidin-1-ylpropanamide is COc1ccc(-c2csc(NC(=O)CCN3CCCC3)n2)cc1.
What is the InChIKey of N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-pyrrolidin-1-ylpropanamide?
The InChIKey is YRVHWRSOZONPGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2S/c1-22-14-6-4-13(5-7-14)15-12-23-17(18-15)19-16(21)8-11-20-9-2-3-10-20/h4-7,12H,2-3,8-11H2,1H3,(H,18,19,21).
What are the key properties of N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-pyrrolidin-1-ylpropanamide?
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-pyrrolidin-1-ylpropanamide has a molecular weight of 331.44 g/mol, XLogP of 3.24, 6 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]-3-pyrrolidin-1-ylpropanamide is sourced from PubChem (CID 44565722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).