N-(2-methoxyethyl)-5-nitro-N-(pyrrolidin-2-ylmethyl)-1,3-thiazol-2-amine

C11H18N4O3S — CID 106620958

IUPACN-(2-methoxyethyl)-5-nitro-N-(pyrrolidin-2-ylmethyl)-1,3-thiazol-2-amine
SMILESCOCCN(CC1CCCN1)c1ncc([N+](=O)[O-])s1
InChIInChI=1S/C11H18N4O3S/c1-18-6-5-14(8-9-3-2-4-12-9)11-13-7-10(19-11)15(16)17/h7,9,12H,2-6,8H2,1H3
InChIKeyBCHGHPSOQPUZET-UHFFFAOYSA-N
MW286.36 g/mol
LogP1.26
Rot. Bonds7

About N-(2-methoxyethyl)-5-nitro-N-(pyrrolidin-2-ylmethyl)-1,3-thiazol-2-amine

N-(2-methoxyethyl)-5-nitro-N-(pyrrolidin-2-ylmethyl)-1,3-thiazol-2-amine (PubChem CID 106620958) has the molecular formula C11H18N4O3S and a molecular weight of 286.36 g/mol. Its IUPAC name is N-(2-methoxyethyl)-5-nitro-N-(pyrrolidin-2-ylmethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-5-nitro-N-(pyrrolidin-2-ylmethyl)-1,3-thiazol-2-amine
PubChem CID106620958
Molecular FormulaC11H18N4O3S
Molecular Weight286.36 g/mol
Exact Mass286.11
IUPAC NameN-(2-methoxyethyl)-5-nitro-N-(pyrrolidin-2-ylmethyl)-1,3-thiazol-2-amine
SMILESCOCCN(CC1CCCN1)c1ncc([N+](=O)[O-])s1
InChIInChI=1S/C11H18N4O3S/c1-18-6-5-14(8-9-3-2-4-12-9)11-13-7-10(19-11)15(16)17/h7,9,12H,2-6,8H2,1H3
InChIKeyBCHGHPSOQPUZET-UHFFFAOYSA-N
XLogP1.26
TPSA80.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 51.26
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

N-(2-methoxyethyl)-2-methyl-6-nitro-N-(pyrrolidin-2-ylmethyl)aniline
CID 106620942
N-cyclopropyl-5-nitro-N-(piperidin-2-ylmethyl)-1,3-thiazol-2-amine
CID 106641069
N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)-1,2,4-thiadiazol-5-amine
CID 106621078
N-(2-methoxyethyl)-2-methyl-4-nitro-N-(pyrrolidin-2-ylmethyl)aniline
CID 106620883
1-N-(2-methoxyethyl)-4-nitro-1-N-(pyrrolidin-2-ylmethyl)benzene-1,3-diamine
CID 106750035
3,5-dichloro-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine
CID 106620995
5-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]pyridine-2-carbonitrile
CID 106621125
6-methoxy-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)pyrazin-2-amine
CID 106620842
5-nitro-N-(piperidin-3-ylmethyl)-N-propan-2-yl-1,3-thiazol-2-amine
CID 106643102
N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)pyrazine-2-carboxamide
CID 106611769
2-[(5-bromo-3-nitro-2-pyridinyl)-(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106621301
N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine
CID 106621059

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-5-nitro-N-(pyrrolidin-2-ylmethyl)-1,3-thiazol-2-amine?
The IUPAC name of N-(2-methoxyethyl)-5-nitro-N-(pyrrolidin-2-ylmethyl)-1,3-thiazol-2-amine (CID 106620958) is N-(2-methoxyethyl)-5-nitro-N-(pyrrolidin-2-ylmethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-(2-methoxyethyl)-5-nitro-N-(pyrrolidin-2-ylmethyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-(2-methoxyethyl)-5-nitro-N-(pyrrolidin-2-ylmethyl)-1,3-thiazol-2-amine is COCCN(CC1CCCN1)c1ncc([N+](=O)[O-])s1.
What is the InChIKey of N-(2-methoxyethyl)-5-nitro-N-(pyrrolidin-2-ylmethyl)-1,3-thiazol-2-amine?
The InChIKey is BCHGHPSOQPUZET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3S/c1-18-6-5-14(8-9-3-2-4-12-9)11-13-7-10(19-11)15(16)17/h7,9,12H,2-6,8H2,1H3.
What are the key properties of N-(2-methoxyethyl)-5-nitro-N-(pyrrolidin-2-ylmethyl)-1,3-thiazol-2-amine?
N-(2-methoxyethyl)-5-nitro-N-(pyrrolidin-2-ylmethyl)-1,3-thiazol-2-amine has a molecular weight of 286.36 g/mol, XLogP of 1.26, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-5-nitro-N-(pyrrolidin-2-ylmethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 106620958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).