(7S)-1-(2-methylpropyl)-5-(1,3-thiazole-4-carbonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylic acid

C15H18N4O3S — CID 97390164

IUPAC(7S)-1-(2-methylpropyl)-5-(1,3-thiazole-4-carbonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylic acid
SMILESCC(C)Cn1cnc2c1[C@@H](C(=O)O)CN(C(=O)c1cscn1)C2
InChIInChI=1S/C15H18N4O3S/c1-9(2)3-19-7-16-11-5-18(4-10(13(11)19)15(21)22)14(20)12-6-23-8-17-12/h6-10H,3-5H2,1-2H3,(H,21,22)/t10-/m0/s1
InChIKeyXRSFKKYRVAHVDJ-JTQLQIEISA-N
MW334.40 g/mol
LogP1.82
Rot. Bonds4

About (7S)-1-(2-methylpropyl)-5-(1,3-thiazole-4-carbonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylic acid

(7S)-1-(2-methylpropyl)-5-(1,3-thiazole-4-carbonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylic acid (PubChem CID 97390164) has the molecular formula C15H18N4O3S and a molecular weight of 334.40 g/mol. Its IUPAC name is (7S)-1-(2-methylpropyl)-5-(1,3-thiazole-4-carbonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylic acid.

Molecular Properties

Compound Name(7S)-1-(2-methylpropyl)-5-(1,3-thiazole-4-carbonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylic acid
PubChem CID97390164
Molecular FormulaC15H18N4O3S
Molecular Weight334.40 g/mol
Exact Mass334.11
IUPAC Name(7S)-1-(2-methylpropyl)-5-(1,3-thiazole-4-carbonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylic acid
SMILESCC(C)Cn1cnc2c1[C@@H](C(=O)O)CN(C(=O)c1cscn1)C2
InChIInChI=1S/C15H18N4O3S/c1-9(2)3-19-7-16-11-5-18(4-10(13(11)19)15(21)22)14(20)12-6-23-8-17-12/h6-10H,3-5H2,1-2H3,(H,21,22)/t10-/m0/s1
InChIKeyXRSFKKYRVAHVDJ-JTQLQIEISA-N
XLogP1.82
TPSA88.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[(3aR,6aS)-2-(2-methylpropyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(1,3-thiazol-4-yl)methanone
CID 97402070
(7R)-1-(2-methylpropyl)-5-(6-methylpyridazin-3-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylic acid
CID 97390159
(7S)-1-(2-methylpropyl)-5-(6-methylpyridazin-3-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylic acid
CID 97390160
(3,5-dimethylpiperidin-1-yl)-(1,3-thiazol-4-yl)methanone
CID 63038082
(3-ethyl-4-hydroxypyrrolidin-1-yl)-(1,3-thiazol-4-yl)methanone
CID 130914065
[(3S)-3-methylpyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 143704110
(2,6-dimethylmorpholin-4-yl)-(1,3-thiazol-4-yl)methanone
CID 63037738
(3,4-dimethoxypyrrolidin-1-yl)-(1,3-thiazol-4-yl)methanone
CID 103533846
1-(1,3-thiazole-4-carbonyl)piperidine-3-carboxylic acid
CID 63023722
3-phenyl-1-[5-(1,3-thiazole-4-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]propan-1-one
CID 131646389
(6R)-6-[(3-fluorophenyl)methoxy]-1-(2-methylpropyl)-4-(1,3-thiazole-4-carbonyl)-1,4-diazepan-2-one
CID 26147209
1-ethyl-5-(oxolane-3-carbonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylic acid
CID 134078751

Frequently Asked Questions

What is the IUPAC name of (7S)-1-(2-methylpropyl)-5-(1,3-thiazole-4-carbonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylic acid?
The IUPAC name of (7S)-1-(2-methylpropyl)-5-(1,3-thiazole-4-carbonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylic acid (CID 97390164) is (7S)-1-(2-methylpropyl)-5-(1,3-thiazole-4-carbonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylic acid.
What is the SMILES notation for (7S)-1-(2-methylpropyl)-5-(1,3-thiazole-4-carbonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylic acid?
The canonical SMILES for (7S)-1-(2-methylpropyl)-5-(1,3-thiazole-4-carbonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylic acid is CC(C)Cn1cnc2c1[C@@H](C(=O)O)CN(C(=O)c1cscn1)C2.
What is the InChIKey of (7S)-1-(2-methylpropyl)-5-(1,3-thiazole-4-carbonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylic acid?
The InChIKey is XRSFKKYRVAHVDJ-JTQLQIEISA-N. The full InChI is InChI=1S/C15H18N4O3S/c1-9(2)3-19-7-16-11-5-18(4-10(13(11)19)15(21)22)14(20)12-6-23-8-17-12/h6-10H,3-5H2,1-2H3,(H,21,22)/t10-/m0/s1.
What are the key properties of (7S)-1-(2-methylpropyl)-5-(1,3-thiazole-4-carbonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylic acid?
(7S)-1-(2-methylpropyl)-5-(1,3-thiazole-4-carbonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylic acid has a molecular weight of 334.40 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-1-(2-methylpropyl)-5-(1,3-thiazole-4-carbonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylic acid is sourced from PubChem (CID 97390164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).