N-[(1-methylpiperidin-4-yl)methyl]-5-nitro-1,3-thiazol-2-amine

C10H16N4O2S — CID 102770669

IUPACN-[(1-methylpiperidin-4-yl)methyl]-5-nitro-1,3-thiazol-2-amine
SMILESCN1CCC(CNc2ncc([N+](=O)[O-])s2)CC1
InChIInChI=1S/C10H16N4O2S/c1-13-4-2-8(3-5-13)6-11-10-12-7-9(17-10)14(15)16/h7-8H,2-6H2,1H3,(H,11,12)
InChIKeyZVTYMSVQYIHLDH-UHFFFAOYSA-N
MW256.33 g/mol
LogP1.80
Rot. Bonds4

About N-[(1-methylpiperidin-4-yl)methyl]-5-nitro-1,3-thiazol-2-amine

N-[(1-methylpiperidin-4-yl)methyl]-5-nitro-1,3-thiazol-2-amine (PubChem CID 102770669) has the molecular formula C10H16N4O2S and a molecular weight of 256.33 g/mol. Its IUPAC name is N-[(1-methylpiperidin-4-yl)methyl]-5-nitro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(1-methylpiperidin-4-yl)methyl]-5-nitro-1,3-thiazol-2-amine
PubChem CID102770669
Molecular FormulaC10H16N4O2S
Molecular Weight256.33 g/mol
Exact Mass256.10
IUPAC NameN-[(1-methylpiperidin-4-yl)methyl]-5-nitro-1,3-thiazol-2-amine
SMILESCN1CCC(CNc2ncc([N+](=O)[O-])s2)CC1
InChIInChI=1S/C10H16N4O2S/c1-13-4-2-8(3-5-13)6-11-10-12-7-9(17-10)14(15)16/h7-8H,2-6H2,1H3,(H,11,12)
InChIKeyZVTYMSVQYIHLDH-UHFFFAOYSA-N
XLogP1.80
TPSA71.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

N-(cyclobutylmethyl)-5-nitro-1,3-thiazol-2-amine
CID 102770437
N-(2-cyclopropylethyl)-5-nitro-1,3-thiazol-2-amine
CID 102770884
5-nitro-N-(oxolan-2-ylmethyl)-1,3-thiazol-2-amine
CID 102770422
N-(3-cyclopentylpropyl)-5-nitro-1,3-thiazol-2-amine
CID 106013018
2-chloro-N-[(1-methylpiperidin-4-yl)methyl]-5-nitropyrimidin-4-amine
CID 114043245
3-bromo-4-methyl-N-[(1-methylpiperidin-4-yl)methyl]-5-nitropyridin-2-amine
CID 104507914
N'-cyclopentyl-N'-methyl-N-(5-nitro-1,3-thiazol-2-yl)ethane-1,2-diamine
CID 102770791
N-(2-methylsulfanylethyl)-5-nitro-1,3-thiazol-2-amine
CID 102770820
5-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 65209104
N-(5-nitro-1,3-thiazol-2-yl)-N'-propan-2-ylethane-1,2-diamine
CID 102771295
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-5-nitro-1,3-thiazol-2-amine
CID 106373712
3-[(5-nitro-1,3-thiazol-2-yl)amino]propan-1-ol
CID 102770428

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpiperidin-4-yl)methyl]-5-nitro-1,3-thiazol-2-amine?
The IUPAC name of N-[(1-methylpiperidin-4-yl)methyl]-5-nitro-1,3-thiazol-2-amine (CID 102770669) is N-[(1-methylpiperidin-4-yl)methyl]-5-nitro-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(1-methylpiperidin-4-yl)methyl]-5-nitro-1,3-thiazol-2-amine?
The canonical SMILES for N-[(1-methylpiperidin-4-yl)methyl]-5-nitro-1,3-thiazol-2-amine is CN1CCC(CNc2ncc([N+](=O)[O-])s2)CC1.
What is the InChIKey of N-[(1-methylpiperidin-4-yl)methyl]-5-nitro-1,3-thiazol-2-amine?
The InChIKey is ZVTYMSVQYIHLDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2S/c1-13-4-2-8(3-5-13)6-11-10-12-7-9(17-10)14(15)16/h7-8H,2-6H2,1H3,(H,11,12).
What are the key properties of N-[(1-methylpiperidin-4-yl)methyl]-5-nitro-1,3-thiazol-2-amine?
N-[(1-methylpiperidin-4-yl)methyl]-5-nitro-1,3-thiazol-2-amine has a molecular weight of 256.33 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpiperidin-4-yl)methyl]-5-nitro-1,3-thiazol-2-amine is sourced from PubChem (CID 102770669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).