N'-[(2-methyl-1,3-thiazol-5-yl)methoxy]-2-piperidin-1-ylpyridine-3-carboximidamide

C16H21N5OS — CID 97009230

IUPACN'-[(2-methyl-1,3-thiazol-5-yl)methoxy]-2-piperidin-1-ylpyridine-3-carboximidamide
SMILESCc1ncc(CO/N=C(\N)c2cccnc2N2CCCCC2)s1
InChIInChI=1S/C16H21N5OS/c1-12-19-10-13(23-12)11-22-20-15(17)14-6-5-7-18-16(14)21-8-3-2-4-9-21/h5-7,10H,2-4,8-9,11H2,1H3,(H2,17,20)
InChIKeyBGZWNEQRNNOCAA-UHFFFAOYSA-N
MW331.45 g/mol
LogP2.67
Rot. Bonds5

About N'-[(2-methyl-1,3-thiazol-5-yl)methoxy]-2-piperidin-1-ylpyridine-3-carboximidamide

N'-[(2-methyl-1,3-thiazol-5-yl)methoxy]-2-piperidin-1-ylpyridine-3-carboximidamide (PubChem CID 97009230) has the molecular formula C16H21N5OS and a molecular weight of 331.45 g/mol. Its IUPAC name is N'-[(2-methyl-1,3-thiazol-5-yl)methoxy]-2-piperidin-1-ylpyridine-3-carboximidamide.

Molecular Properties

Compound NameN'-[(2-methyl-1,3-thiazol-5-yl)methoxy]-2-piperidin-1-ylpyridine-3-carboximidamide
PubChem CID97009230
Molecular FormulaC16H21N5OS
Molecular Weight331.45 g/mol
Exact Mass331.15
IUPAC NameN'-[(2-methyl-1,3-thiazol-5-yl)methoxy]-2-piperidin-1-ylpyridine-3-carboximidamide
SMILESCc1ncc(CO/N=C(\N)c2cccnc2N2CCCCC2)s1
InChIInChI=1S/C16H21N5OS/c1-12-19-10-13(23-12)11-22-20-15(17)14-6-5-7-18-16(14)21-8-3-2-4-9-21/h5-7,10H,2-4,8-9,11H2,1H3,(H2,17,20)
InChIKeyBGZWNEQRNNOCAA-UHFFFAOYSA-N
XLogP2.67
TPSA76.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.45
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl 5-[[[amino-(2-piperidin-1-yl-3-pyridinyl)methylidene]amino]oxymethyl]furan-2-carboxylate
CID 76878083
N'-[(2-cyanophenyl)methoxy]-2-piperidin-1-ylpyridine-3-carboximidamide
CID 78905688
N'-[(4-bromo-2-fluorophenyl)methoxy]-2-piperidin-1-ylpyridine-3-carboximidamide
CID 60588737
2-[[amino-(2-piperidin-1-yl-3-pyridinyl)methylidene]amino]oxy-N-(3-methylbutan-2-yl)acetamide
CID 75264379
N'-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methoxy]-2-piperidin-1-ylpyridine-3-carboximidamide
CID 134007979
2-[(Z)-[amino-(2-piperidin-1-yl-3-pyridinyl)methylidene]amino]oxy-N-[(1R,2R)-2-methylcyclohexyl]acetamide
CID 52534598
2-[(Z)-[amino-(2-piperidin-1-yl-3-pyridinyl)methylidene]amino]oxy-N-[(1S,2S)-2-methylcyclohexyl]acetamide
CID 52534597
ethyl 4-(2-pyrrolidin-1-ylpyridine-3-carbonyl)piperazine-1-carboxylate
CID 84574983
(3,5-dimethylphenyl) 2-pyrrolidin-1-ylpyridine-3-carboxylate
CID 55381207
2-pyrrolidin-1-ylpyridine-3-carboxylic acid
CID 2794739
2-(3-ethoxypiperidin-1-yl)-N'-hydroxypyridine-3-carboximidamide
CID 54985539
oxazepan-2-yl-(2-piperidin-1-yl-3-pyridinyl)methanone
CID 122144453

Frequently Asked Questions

What is the IUPAC name of N'-[(2-methyl-1,3-thiazol-5-yl)methoxy]-2-piperidin-1-ylpyridine-3-carboximidamide?
The IUPAC name of N'-[(2-methyl-1,3-thiazol-5-yl)methoxy]-2-piperidin-1-ylpyridine-3-carboximidamide (CID 97009230) is N'-[(2-methyl-1,3-thiazol-5-yl)methoxy]-2-piperidin-1-ylpyridine-3-carboximidamide.
What is the SMILES notation for N'-[(2-methyl-1,3-thiazol-5-yl)methoxy]-2-piperidin-1-ylpyridine-3-carboximidamide?
The canonical SMILES for N'-[(2-methyl-1,3-thiazol-5-yl)methoxy]-2-piperidin-1-ylpyridine-3-carboximidamide is Cc1ncc(CO/N=C(\N)c2cccnc2N2CCCCC2)s1.
What is the InChIKey of N'-[(2-methyl-1,3-thiazol-5-yl)methoxy]-2-piperidin-1-ylpyridine-3-carboximidamide?
The InChIKey is BGZWNEQRNNOCAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5OS/c1-12-19-10-13(23-12)11-22-20-15(17)14-6-5-7-18-16(14)21-8-3-2-4-9-21/h5-7,10H,2-4,8-9,11H2,1H3,(H2,17,20).
What are the key properties of N'-[(2-methyl-1,3-thiazol-5-yl)methoxy]-2-piperidin-1-ylpyridine-3-carboximidamide?
N'-[(2-methyl-1,3-thiazol-5-yl)methoxy]-2-piperidin-1-ylpyridine-3-carboximidamide has a molecular weight of 331.45 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2-methyl-1,3-thiazol-5-yl)methoxy]-2-piperidin-1-ylpyridine-3-carboximidamide is sourced from PubChem (CID 97009230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).