N-[4-[1-(1,3-thiazol-5-ylmethyl)pyrrolidin-2-yl]-1,3-thiazol-2-yl]acetamide

C13H16N4OS2 — CID 155986787

IUPACN-[4-[1-(1,3-thiazol-5-ylmethyl)pyrrolidin-2-yl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C2CCCN2Cc2cncs2)cs1
InChIInChI=1S/C13H16N4OS2/c1-9(18)15-13-16-11(7-19-13)12-3-2-4-17(12)6-10-5-14-8-20-10/h5,7-8,12H,2-4,6H2,1H3,(H,15,16,18)
InChIKeyDUFGAIDMZIUYRC-UHFFFAOYSA-N
MW308.43 g/mol
LogP2.90
Rot. Bonds4

About N-[4-[1-(1,3-thiazol-5-ylmethyl)pyrrolidin-2-yl]-1,3-thiazol-2-yl]acetamide

N-[4-[1-(1,3-thiazol-5-ylmethyl)pyrrolidin-2-yl]-1,3-thiazol-2-yl]acetamide (PubChem CID 155986787) has the molecular formula C13H16N4OS2 and a molecular weight of 308.43 g/mol. Its IUPAC name is N-[4-[1-(1,3-thiazol-5-ylmethyl)pyrrolidin-2-yl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-[1-(1,3-thiazol-5-ylmethyl)pyrrolidin-2-yl]-1,3-thiazol-2-yl]acetamide
PubChem CID155986787
Molecular FormulaC13H16N4OS2
Molecular Weight308.43 g/mol
Exact Mass308.08
IUPAC NameN-[4-[1-(1,3-thiazol-5-ylmethyl)pyrrolidin-2-yl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C2CCCN2Cc2cncs2)cs1
InChIInChI=1S/C13H16N4OS2/c1-9(18)15-13-16-11(7-19-13)12-3-2-4-17(12)6-10-5-14-8-20-10/h5,7-8,12H,2-4,6H2,1H3,(H,15,16,18)
InChIKeyDUFGAIDMZIUYRC-UHFFFAOYSA-N
XLogP2.90
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-pyridin-2-yl-4-[1-(1,3-thiazol-5-ylmethyl)pyrrolidin-2-yl]-1,3-thiazol-2-amine
CID 155986742
2-[2-(2-acetamido-1,3-thiazol-4-yl)piperidin-1-yl]acetamide
CID 155985678
ethyl 2-[(2R)-1-(1,3-thiazol-5-ylmethyl)pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate
CID 99834635
N-pyrazin-2-yl-6-[(2R)-1-(1,3-thiazol-5-ylmethyl)pyrrolidin-2-yl]pyridine-2-carboxamide
CID 124953425
2-methyl-1-(1,3-thiazol-5-ylmethyl)piperidin-3-ol
CID 131019864
2-[1-(1,3-thiazol-5-ylmethyl)pyrrolidin-2-yl]acetic acid
CID 112641386
4-bromo-N-[4-[1-[(6-methyl-3-pyridinyl)methyl]pyrrolidin-2-yl]-1,3-thiazol-2-yl]benzamide
CID 132767500
N-methyl-4-[(2R)-1-(1,3-thiazol-5-ylmethyl)pyrrolidin-2-yl]pyridin-2-amine
CID 124964991
4-tert-butyl-N-[4-[1-[(5-fluoro-2-pyridinyl)methyl]pyrrolidin-2-yl]-1,3-thiazol-2-yl]benzamide
CID 132772500
5-[[(2R)-2-(fluoromethyl)pyrrolidin-1-yl]methyl]-1,3-thiazole
CID 129487841
N-[4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)-1,3-thiazol-2-yl]acetamide
CID 51226338
4-tert-butyl-N-[4-[1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]-1,3-thiazol-2-yl]benzamide
CID 132772107

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(1,3-thiazol-5-ylmethyl)pyrrolidin-2-yl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[4-[1-(1,3-thiazol-5-ylmethyl)pyrrolidin-2-yl]-1,3-thiazol-2-yl]acetamide (CID 155986787) is N-[4-[1-(1,3-thiazol-5-ylmethyl)pyrrolidin-2-yl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[4-[1-(1,3-thiazol-5-ylmethyl)pyrrolidin-2-yl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[4-[1-(1,3-thiazol-5-ylmethyl)pyrrolidin-2-yl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc(C2CCCN2Cc2cncs2)cs1.
What is the InChIKey of N-[4-[1-(1,3-thiazol-5-ylmethyl)pyrrolidin-2-yl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is DUFGAIDMZIUYRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4OS2/c1-9(18)15-13-16-11(7-19-13)12-3-2-4-17(12)6-10-5-14-8-20-10/h5,7-8,12H,2-4,6H2,1H3,(H,15,16,18).
What are the key properties of N-[4-[1-(1,3-thiazol-5-ylmethyl)pyrrolidin-2-yl]-1,3-thiazol-2-yl]acetamide?
N-[4-[1-(1,3-thiazol-5-ylmethyl)pyrrolidin-2-yl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 308.43 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(1,3-thiazol-5-ylmethyl)pyrrolidin-2-yl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 155986787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).