[2-[[(3-nitro-2-pyridinyl)amino]methyl]-1,3-thiazol-4-yl]methanol

C10H10N4O3S — CID 133487746

IUPAC[2-[[(3-nitro-2-pyridinyl)amino]methyl]-1,3-thiazol-4-yl]methanol
SMILESO=[N+]([O-])c1cccnc1NCc1nc(CO)cs1
InChIInChI=1S/C10H10N4O3S/c15-5-7-6-18-9(13-7)4-12-10-8(14(16)17)2-1-3-11-10/h1-3,6,15H,4-5H2,(H,11,12)
InChIKeyCUDFHAMJWZJZAO-UHFFFAOYSA-N
MW266.28 g/mol
LogP1.55
Rot. Bonds5

About [2-[[(3-nitro-2-pyridinyl)amino]methyl]-1,3-thiazol-4-yl]methanol

[2-[[(3-nitro-2-pyridinyl)amino]methyl]-1,3-thiazol-4-yl]methanol (PubChem CID 133487746) has the molecular formula C10H10N4O3S and a molecular weight of 266.28 g/mol. Its IUPAC name is [2-[[(3-nitro-2-pyridinyl)amino]methyl]-1,3-thiazol-4-yl]methanol.

Molecular Properties

Compound Name[2-[[(3-nitro-2-pyridinyl)amino]methyl]-1,3-thiazol-4-yl]methanol
PubChem CID133487746
Molecular FormulaC10H10N4O3S
Molecular Weight266.28 g/mol
Exact Mass266.05
IUPAC Name[2-[[(3-nitro-2-pyridinyl)amino]methyl]-1,3-thiazol-4-yl]methanol
SMILESO=[N+]([O-])c1cccnc1NCc1nc(CO)cs1
InChIInChI=1S/C10H10N4O3S/c15-5-7-6-18-9(13-7)4-12-10-8(14(16)17)2-1-3-11-10/h1-3,6,15H,4-5H2,(H,11,12)
InChIKeyCUDFHAMJWZJZAO-UHFFFAOYSA-N
XLogP1.55
TPSA101.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.28
LogP ≤ 51.55
H-Bond Donors ≤ 52
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'}

Analyze [2-[[(3-nitro-2-pyridinyl)amino]methyl]-1,3-thiazol-4-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-nitro-N-(pyrimidin-4-ylmethyl)pyridin-2-amine
CID 114111440
3-nitro-N-(pyridazin-3-ylmethyl)pyridin-2-amine
CID 106832672
N-(2,2-dimethylpropyl)-3-nitropyridin-2-amine
CID 61168630
3-nitro-N-[(4-nitrophenyl)methyl]pyridin-2-amine
CID 15567578
3-[(3-nitro-2-pyridinyl)amino]propan-1-ol;hydrochloride
CID 71299310
N-(2-methylpropyl)-3-nitropyridin-2-amine;hydrochloride
CID 163342723
N,N-dimethyl-2-[(3-nitro-2-pyridinyl)amino]acetamide
CID 9339733
N-[(4-methylsulfonylphenyl)methyl]-3-nitropyridin-2-amine
CID 60502817
6-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-nitropyridin-2-amine
CID 81137942
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-nitropyridin-2-amine
CID 54903766
N-but-2-ynyl-3-nitropyridin-2-amine
CID 115869256
N-(3-nitro-2-pyridinyl)-N'-pyrimidin-2-ylpropane-1,3-diamine
CID 52664309

Frequently Asked Questions

What is the IUPAC name of [2-[[(3-nitro-2-pyridinyl)amino]methyl]-1,3-thiazol-4-yl]methanol?
The IUPAC name of [2-[[(3-nitro-2-pyridinyl)amino]methyl]-1,3-thiazol-4-yl]methanol (CID 133487746) is [2-[[(3-nitro-2-pyridinyl)amino]methyl]-1,3-thiazol-4-yl]methanol.
What is the SMILES notation for [2-[[(3-nitro-2-pyridinyl)amino]methyl]-1,3-thiazol-4-yl]methanol?
The canonical SMILES for [2-[[(3-nitro-2-pyridinyl)amino]methyl]-1,3-thiazol-4-yl]methanol is O=[N+]([O-])c1cccnc1NCc1nc(CO)cs1.
What is the InChIKey of [2-[[(3-nitro-2-pyridinyl)amino]methyl]-1,3-thiazol-4-yl]methanol?
The InChIKey is CUDFHAMJWZJZAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O3S/c15-5-7-6-18-9(13-7)4-12-10-8(14(16)17)2-1-3-11-10/h1-3,6,15H,4-5H2,(H,11,12).
What are the key properties of [2-[[(3-nitro-2-pyridinyl)amino]methyl]-1,3-thiazol-4-yl]methanol?
[2-[[(3-nitro-2-pyridinyl)amino]methyl]-1,3-thiazol-4-yl]methanol has a molecular weight of 266.28 g/mol, XLogP of 1.55, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(3-nitro-2-pyridinyl)amino]methyl]-1,3-thiazol-4-yl]methanol is sourced from PubChem (CID 133487746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).