N-cyclopropyl-N-[[1-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]methyl]acetamide

C17H25N3OS — CID 129003015

IUPACN-cyclopropyl-N-[[1-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]methyl]acetamide
SMILESCC(=O)N(CC1CCCN1Cc1cnc(C2CC2)s1)C1CC1
InChIInChI=1S/C17H25N3OS/c1-12(21)20(14-6-7-14)10-15-3-2-8-19(15)11-16-9-18-17(22-16)13-4-5-13/h9,13-15H,2-8,10-11H2,1H3
InChIKeyYGBGRDGWDVGPRC-UHFFFAOYSA-N
MW319.47 g/mol
LogP3.00
Rot. Bonds6

About N-cyclopropyl-N-[[1-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]methyl]acetamide

N-cyclopropyl-N-[[1-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]methyl]acetamide (PubChem CID 129003015) has the molecular formula C17H25N3OS and a molecular weight of 319.47 g/mol. Its IUPAC name is N-cyclopropyl-N-[[1-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[[1-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]methyl]acetamide
PubChem CID129003015
Molecular FormulaC17H25N3OS
Molecular Weight319.47 g/mol
Exact Mass319.17
IUPAC NameN-cyclopropyl-N-[[1-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]methyl]acetamide
SMILESCC(=O)N(CC1CCCN1Cc1cnc(C2CC2)s1)C1CC1
InChIInChI=1S/C17H25N3OS/c1-12(21)20(14-6-7-14)10-15-3-2-8-19(15)11-16-9-18-17(22-16)13-4-5-13/h9,13-15H,2-8,10-11H2,1H3
InChIKeyYGBGRDGWDVGPRC-UHFFFAOYSA-N
XLogP3.00
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.47
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[[1-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]methyl]acetamide?
The IUPAC name of N-cyclopropyl-N-[[1-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]methyl]acetamide (CID 129003015) is N-cyclopropyl-N-[[1-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]methyl]acetamide.
What is the SMILES notation for N-cyclopropyl-N-[[1-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]methyl]acetamide?
The canonical SMILES for N-cyclopropyl-N-[[1-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]methyl]acetamide is CC(=O)N(CC1CCCN1Cc1cnc(C2CC2)s1)C1CC1.
What is the InChIKey of N-cyclopropyl-N-[[1-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]methyl]acetamide?
The InChIKey is YGBGRDGWDVGPRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3OS/c1-12(21)20(14-6-7-14)10-15-3-2-8-19(15)11-16-9-18-17(22-16)13-4-5-13/h9,13-15H,2-8,10-11H2,1H3.
What are the key properties of N-cyclopropyl-N-[[1-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]methyl]acetamide?
N-cyclopropyl-N-[[1-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]methyl]acetamide has a molecular weight of 319.47 g/mol, XLogP of 3.00, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[[1-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]methyl]acetamide is sourced from PubChem (CID 129003015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).