N-[4-[(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methyl]-1,3-thiazol-2-yl]acetamide

C13H17N5OS — CID 56781173

IUPACN-[4-[(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(CN2CCc3c(ncn3C)C2)cs1
InChIInChI=1S/C13H17N5OS/c1-9(19)15-13-16-10(7-20-13)5-18-4-3-12-11(6-18)14-8-17(12)2/h7-8H,3-6H2,1-2H3,(H,15,16,19)
InChIKeyQFYAWJPBXAAKBH-UHFFFAOYSA-N
MW291.38 g/mol
LogP1.39
Rot. Bonds3

About N-[4-[(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methyl]-1,3-thiazol-2-yl]acetamide

N-[4-[(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 56781173) has the molecular formula C13H17N5OS and a molecular weight of 291.38 g/mol. Its IUPAC name is N-[4-[(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-[(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID56781173
Molecular FormulaC13H17N5OS
Molecular Weight291.38 g/mol
Exact Mass291.12
IUPAC NameN-[4-[(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(CN2CCc3c(ncn3C)C2)cs1
InChIInChI=1S/C13H17N5OS/c1-9(19)15-13-16-10(7-20-13)5-18-4-3-12-11(6-18)14-8-17(12)2/h7-8H,3-6H2,1-2H3,(H,15,16,19)
InChIKeyQFYAWJPBXAAKBH-UHFFFAOYSA-N
XLogP1.39
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[4-[(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methyl]-1,3-thiazol-2-yl]acetamide (CID 56781173) is N-[4-[(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[4-[(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[4-[(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methyl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc(CN2CCc3c(ncn3C)C2)cs1.
What is the InChIKey of N-[4-[(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is QFYAWJPBXAAKBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5OS/c1-9(19)15-13-16-10(7-20-13)5-18-4-3-12-11(6-18)14-8-17(12)2/h7-8H,3-6H2,1-2H3,(H,15,16,19).
What are the key properties of N-[4-[(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methyl]-1,3-thiazol-2-yl]acetamide?
N-[4-[(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 291.38 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 56781173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).