N-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-2-pyrrolidin-3-ylbenzamide

C19H25N3OS — CID 56895782

IUPACN-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-2-pyrrolidin-3-ylbenzamide
SMILESCC(C)c1nc(CN(C)C(=O)c2ccccc2C2CCNC2)cs1
InChIInChI=1S/C19H25N3OS/c1-13(2)18-21-15(12-24-18)11-22(3)19(23)17-7-5-4-6-16(17)14-8-9-20-10-14/h4-7,12-14,20H,8-11H2,1-3H3
InChIKeyZZYJRODLTVSPOP-UHFFFAOYSA-N
MW343.50 g/mol
LogP3.62
Rot. Bonds5

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

N-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-2-pyrrolidin-3-ylbenzamide (PubChem CID 56895782) has the molecular formula C19H25N3OS and a molecular weight of 343.50 g/mol. Its IUPAC name is N-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-2-pyrrolidin-3-ylbenzamide.

Molecular Properties

Compound NameN-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-2-pyrrolidin-3-ylbenzamide
PubChem CID56895782
Molecular FormulaC19H25N3OS
Molecular Weight343.50 g/mol
Exact Mass343.17
IUPAC NameN-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-2-pyrrolidin-3-ylbenzamide
SMILESCC(C)c1nc(CN(C)C(=O)c2ccccc2C2CCNC2)cs1
InChIInChI=1S/C19H25N3OS/c1-13(2)18-21-15(12-24-18)11-22(3)19(23)17-7-5-4-6-16(17)14-8-9-20-10-14/h4-7,12-14,20H,8-11H2,1-3H3
InChIKeyZZYJRODLTVSPOP-UHFFFAOYSA-N
XLogP3.62
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.50
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-2-pyrrolidin-3-ylbenzamide?
The IUPAC name of N-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-2-pyrrolidin-3-ylbenzamide (CID 56895782) is N-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-2-pyrrolidin-3-ylbenzamide.
What is the SMILES notation for N-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-2-pyrrolidin-3-ylbenzamide?
The canonical SMILES for N-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-2-pyrrolidin-3-ylbenzamide is CC(C)c1nc(CN(C)C(=O)c2ccccc2C2CCNC2)cs1.
What is the InChIKey of N-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-2-pyrrolidin-3-ylbenzamide?
The InChIKey is ZZYJRODLTVSPOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3OS/c1-13(2)18-21-15(12-24-18)11-22(3)19(23)17-7-5-4-6-16(17)14-8-9-20-10-14/h4-7,12-14,20H,8-11H2,1-3H3.
What are the key properties of N-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-2-pyrrolidin-3-ylbenzamide?
N-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-2-pyrrolidin-3-ylbenzamide has a molecular weight of 343.50 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-2-pyrrolidin-3-ylbenzamide is sourced from PubChem (CID 56895782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).