3-(2-amino-1,3-thiazol-5-yl)-1-(2-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-1-one

C13H17N5OS — CID 167881420

IUPAC3-(2-amino-1,3-thiazol-5-yl)-1-(2-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-1-one
SMILESCc1nc2c([nH]1)CN(C(=O)CCc1cnc(N)s1)CC2
InChIInChI=1S/C13H17N5OS/c1-8-16-10-4-5-18(7-11(10)17-8)12(19)3-2-9-6-15-13(14)20-9/h6H,2-5,7H2,1H3,(H2,14,15)(H,16,17)
InChIKeyVHMFPZQODYDMAD-UHFFFAOYSA-N
MW291.38 g/mol
LogP1.27
Rot. Bonds3

About 3-(2-amino-1,3-thiazol-5-yl)-1-(2-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-1-one

3-(2-amino-1,3-thiazol-5-yl)-1-(2-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-1-one (PubChem CID 167881420) has the molecular formula C13H17N5OS and a molecular weight of 291.38 g/mol. Its IUPAC name is 3-(2-amino-1,3-thiazol-5-yl)-1-(2-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-1-one.

Molecular Properties

Compound Name3-(2-amino-1,3-thiazol-5-yl)-1-(2-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-1-one
PubChem CID167881420
Molecular FormulaC13H17N5OS
Molecular Weight291.38 g/mol
Exact Mass291.12
IUPAC Name3-(2-amino-1,3-thiazol-5-yl)-1-(2-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-1-one
SMILESCc1nc2c([nH]1)CN(C(=O)CCc1cnc(N)s1)CC2
InChIInChI=1S/C13H17N5OS/c1-8-16-10-4-5-18(7-11(10)17-8)12(19)3-2-9-6-15-13(14)20-9/h6H,2-5,7H2,1H3,(H2,14,15)(H,16,17)
InChIKeyVHMFPZQODYDMAD-UHFFFAOYSA-N
XLogP1.27
TPSA87.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(benzotriazol-2-yl)-1-(2-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone
CID 131920552
formic acid;1-(2-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-2-(oxolan-3-yl)ethanone
CID 154909880
N-[2-(dimethylamino)propyl]-2-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide
CID 122559105
(2-methyloxolan-2-yl)-(2-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
CID 119064820
2-[5-[(1S)-1-aminoethyl]-3-phenyl-1,2,4-triazol-1-yl]-1-(2-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone;dihydrochloride
CID 154921383
3-(2-methylphenyl)-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-1-one
CID 110712801
3-(3-chloro-1,2-oxazol-5-yl)-1-(2-pyridin-3-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-1-one
CID 77082343
(1R,8R,9S)-8-(2-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one;dihydrochloride
CID 171329939
2-(5-methylthiophen-2-yl)-1-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethanone
CID 86859600
1-(2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)hexan-1-one
CID 68679098
1-(3-amino-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)-3-(4-methylphenyl)propan-1-one
CID 84582003
1-(2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-3-phenoxypropan-1-one
CID 28505312

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-1,3-thiazol-5-yl)-1-(2-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-1-one?
The IUPAC name of 3-(2-amino-1,3-thiazol-5-yl)-1-(2-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-1-one (CID 167881420) is 3-(2-amino-1,3-thiazol-5-yl)-1-(2-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-1-one.
What is the SMILES notation for 3-(2-amino-1,3-thiazol-5-yl)-1-(2-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-1-one?
The canonical SMILES for 3-(2-amino-1,3-thiazol-5-yl)-1-(2-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-1-one is Cc1nc2c([nH]1)CN(C(=O)CCc1cnc(N)s1)CC2.
What is the InChIKey of 3-(2-amino-1,3-thiazol-5-yl)-1-(2-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-1-one?
The InChIKey is VHMFPZQODYDMAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5OS/c1-8-16-10-4-5-18(7-11(10)17-8)12(19)3-2-9-6-15-13(14)20-9/h6H,2-5,7H2,1H3,(H2,14,15)(H,16,17).
What are the key properties of 3-(2-amino-1,3-thiazol-5-yl)-1-(2-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-1-one?
3-(2-amino-1,3-thiazol-5-yl)-1-(2-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-1-one has a molecular weight of 291.38 g/mol, XLogP of 1.27, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-1,3-thiazol-5-yl)-1-(2-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-1-one is sourced from PubChem (CID 167881420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).