N-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]-3-methoxy-N-methylpropan-1-amine

C9H18N4OS — CID 79764263

IUPACN-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]-3-methoxy-N-methylpropan-1-amine
SMILESCOCCCN(C)Cc1cnc(NN)s1
InChIInChI=1S/C9H18N4OS/c1-13(4-3-5-14-2)7-8-6-11-9(12-10)15-8/h6H,3-5,7,10H2,1-2H3,(H,11,12)
InChIKeyRKIVLSYRVFTNFB-UHFFFAOYSA-N
MW230.34 g/mol
LogP0.90
Rot. Bonds7

About N-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]-3-methoxy-N-methylpropan-1-amine

N-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]-3-methoxy-N-methylpropan-1-amine (PubChem CID 79764263) has the molecular formula C9H18N4OS and a molecular weight of 230.34 g/mol. Its IUPAC name is N-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]-3-methoxy-N-methylpropan-1-amine.

Molecular Properties

Compound NameN-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]-3-methoxy-N-methylpropan-1-amine
PubChem CID79764263
Molecular FormulaC9H18N4OS
Molecular Weight230.34 g/mol
Exact Mass230.12
IUPAC NameN-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]-3-methoxy-N-methylpropan-1-amine
SMILESCOCCCN(C)Cc1cnc(NN)s1
InChIInChI=1S/C9H18N4OS/c1-13(4-3-5-14-2)7-8-6-11-9(12-10)15-8/h6H,3-5,7,10H2,1-2H3,(H,11,12)
InChIKeyRKIVLSYRVFTNFB-UHFFFAOYSA-N
XLogP0.90
TPSA63.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.34
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]-3-methoxy-N-methylpropan-1-amine?
The IUPAC name of N-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]-3-methoxy-N-methylpropan-1-amine (CID 79764263) is N-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]-3-methoxy-N-methylpropan-1-amine.
What is the SMILES notation for N-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]-3-methoxy-N-methylpropan-1-amine?
The canonical SMILES for N-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]-3-methoxy-N-methylpropan-1-amine is COCCCN(C)Cc1cnc(NN)s1.
What is the InChIKey of N-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]-3-methoxy-N-methylpropan-1-amine?
The InChIKey is RKIVLSYRVFTNFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4OS/c1-13(4-3-5-14-2)7-8-6-11-9(12-10)15-8/h6H,3-5,7,10H2,1-2H3,(H,11,12).
What are the key properties of N-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]-3-methoxy-N-methylpropan-1-amine?
N-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]-3-methoxy-N-methylpropan-1-amine has a molecular weight of 230.34 g/mol, XLogP of 0.90, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]-3-methoxy-N-methylpropan-1-amine is sourced from PubChem (CID 79764263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).