1-[(2-chloro-1,3-thiazol-5-yl)methyl]-8-nitro-7-phenyl-3,5,6,7-tetrahydro-2H-imidazo[1,2-a]pyridin-5-ol

C17H17ClN4O3S — CID 71481358

IUPAC1-[(2-chloro-1,3-thiazol-5-yl)methyl]-8-nitro-7-phenyl-3,5,6,7-tetrahydro-2H-imidazo[1,2-a]pyridin-5-ol
SMILESO=[N+]([O-])C1=C2N(Cc3cnc(Cl)s3)CCN2C(O)CC1c1ccccc1
InChIInChI=1S/C17H17ClN4O3S/c18-17-19-9-12(26-17)10-20-6-7-21-14(23)8-13(11-4-2-1-3-5-11)15(16(20)21)22(24)25/h1-5,9,13-14,23H,6-8,10H2
InChIKeyJBJGRZPLBBCJOA-UHFFFAOYSA-N
MW392.87 g/mol
LogP2.87
Rot. Bonds4

About 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-8-nitro-7-phenyl-3,5,6,7-tetrahydro-2H-imidazo[1,2-a]pyridin-5-ol

1-[(2-chloro-1,3-thiazol-5-yl)methyl]-8-nitro-7-phenyl-3,5,6,7-tetrahydro-2H-imidazo[1,2-a]pyridin-5-ol (PubChem CID 71481358) has the molecular formula C17H17ClN4O3S and a molecular weight of 392.87 g/mol. Its IUPAC name is 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-8-nitro-7-phenyl-3,5,6,7-tetrahydro-2H-imidazo[1,2-a]pyridin-5-ol.

Molecular Properties

Compound Name1-[(2-chloro-1,3-thiazol-5-yl)methyl]-8-nitro-7-phenyl-3,5,6,7-tetrahydro-2H-imidazo[1,2-a]pyridin-5-ol
PubChem CID71481358
Molecular FormulaC17H17ClN4O3S
Molecular Weight392.87 g/mol
Exact Mass392.07
IUPAC Name1-[(2-chloro-1,3-thiazol-5-yl)methyl]-8-nitro-7-phenyl-3,5,6,7-tetrahydro-2H-imidazo[1,2-a]pyridin-5-ol
SMILESO=[N+]([O-])C1=C2N(Cc3cnc(Cl)s3)CCN2C(O)CC1c1ccccc1
InChIInChI=1S/C17H17ClN4O3S/c18-17-19-9-12(26-17)10-20-6-7-21-14(23)8-13(11-4-2-1-3-5-11)15(16(20)21)22(24)25/h1-5,9,13-14,23H,6-8,10H2
InChIKeyJBJGRZPLBBCJOA-UHFFFAOYSA-N
XLogP2.87
TPSA82.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.87
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-chloro-5-[[5-(2-methylpropoxy)-8-nitro-7-phenyl-3,5,6,7-tetrahydro-2H-imidazo[1,2-a]pyridin-1-yl]methyl]-1,3-thiazole
CID 71481357
(1R)-5-[(6-chloro-3-pyridinyl)methyl]-7-nitro-11-oxa-2,5-diazatricyclo[6.2.1.02,6]undec-6-ene
CID 175540746
N-(4-chlorophenyl)-5-[(6-chloro-3-pyridinyl)methyl]-7-nitro-2,5,12-triazatricyclo[6.3.1.02,6]dodec-6-en-12-amine
CID 102127232
2-chloro-5-[[6-(2-methylbutan-2-yl)-8-nitro-2,3,5,7-tetrahydroimidazo[1,2-c]pyrimidin-1-yl]methyl]-1,3-thiazole
CID 14014173
2-chloro-5-[(3-methyl-8-nitro-2,3-dihydroimidazo[1,2-a]pyridin-4-ium-1-yl)methyl]-1,3-thiazole
CID 175050865
(5R,7R)-1-[(6-chloro-3-pyridinyl)methyl]-7-methyl-8-nitro-5-propyl-3,5,6,7-tetrahydro-2H-imidazo[1,2-a]pyridine
CID 122369895
5-amino-1-[(6-chloro-3-pyridinyl)methyl]-8-nitro-7-phenyl-3,7-dihydro-2H-imidazo[1,2-a]pyridine-6-carbonitrile
CID 45278118
3-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-(3-nitrophenyl)-1,3-thiazolidin-2-imine
CID 46236537
2-chloro-5-[[2-[(E)-1-nitro-2-(5-nitrofuran-2-yl)ethenyl]-4,5-dihydroimidazol-1-yl]methyl]-1,3-thiazole
CID 59590449
2-chloro-5-[(3-nitropyrazol-1-yl)methyl]-1,3-thiazole
CID 79764095
N-[4-[(2-chloro-1,3-thiazol-5-yl)methyl]morpholin-3-ylidene]nitramide
CID 72584491
(3Z)-4-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-(nitromethylidene)morpholine
CID 22946078

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-8-nitro-7-phenyl-3,5,6,7-tetrahydro-2H-imidazo[1,2-a]pyridin-5-ol?
The IUPAC name of 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-8-nitro-7-phenyl-3,5,6,7-tetrahydro-2H-imidazo[1,2-a]pyridin-5-ol (CID 71481358) is 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-8-nitro-7-phenyl-3,5,6,7-tetrahydro-2H-imidazo[1,2-a]pyridin-5-ol.
What is the SMILES notation for 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-8-nitro-7-phenyl-3,5,6,7-tetrahydro-2H-imidazo[1,2-a]pyridin-5-ol?
The canonical SMILES for 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-8-nitro-7-phenyl-3,5,6,7-tetrahydro-2H-imidazo[1,2-a]pyridin-5-ol is O=[N+]([O-])C1=C2N(Cc3cnc(Cl)s3)CCN2C(O)CC1c1ccccc1.
What is the InChIKey of 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-8-nitro-7-phenyl-3,5,6,7-tetrahydro-2H-imidazo[1,2-a]pyridin-5-ol?
The InChIKey is JBJGRZPLBBCJOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4O3S/c18-17-19-9-12(26-17)10-20-6-7-21-14(23)8-13(11-4-2-1-3-5-11)15(16(20)21)22(24)25/h1-5,9,13-14,23H,6-8,10H2.
What are the key properties of 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-8-nitro-7-phenyl-3,5,6,7-tetrahydro-2H-imidazo[1,2-a]pyridin-5-ol?
1-[(2-chloro-1,3-thiazol-5-yl)methyl]-8-nitro-7-phenyl-3,5,6,7-tetrahydro-2H-imidazo[1,2-a]pyridin-5-ol has a molecular weight of 392.87 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-8-nitro-7-phenyl-3,5,6,7-tetrahydro-2H-imidazo[1,2-a]pyridin-5-ol is sourced from PubChem (CID 71481358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).