N-[(5-iodo-1,3-thiazol-2-yl)methyl]-3-morpholin-4-ylpropan-1-amine

C11H18IN3OS — CID 112755271

IUPACN-[(5-iodo-1,3-thiazol-2-yl)methyl]-3-morpholin-4-ylpropan-1-amine
SMILESIc1cnc(CNCCCN2CCOCC2)s1
InChIInChI=1S/C11H18IN3OS/c12-10-8-14-11(17-10)9-13-2-1-3-15-4-6-16-7-5-15/h8,13H,1-7,9H2
InChIKeyDNBGODAMGOBYTB-UHFFFAOYSA-N
MW367.26 g/mol
LogP1.56
Rot. Bonds6

About N-[(5-iodo-1,3-thiazol-2-yl)methyl]-3-morpholin-4-ylpropan-1-amine

N-[(5-iodo-1,3-thiazol-2-yl)methyl]-3-morpholin-4-ylpropan-1-amine (PubChem CID 112755271) has the molecular formula C11H18IN3OS and a molecular weight of 367.26 g/mol. Its IUPAC name is N-[(5-iodo-1,3-thiazol-2-yl)methyl]-3-morpholin-4-ylpropan-1-amine.

Molecular Properties

Compound NameN-[(5-iodo-1,3-thiazol-2-yl)methyl]-3-morpholin-4-ylpropan-1-amine
PubChem CID112755271
Molecular FormulaC11H18IN3OS
Molecular Weight367.26 g/mol
Exact Mass367.02
IUPAC NameN-[(5-iodo-1,3-thiazol-2-yl)methyl]-3-morpholin-4-ylpropan-1-amine
SMILESIc1cnc(CNCCCN2CCOCC2)s1
InChIInChI=1S/C11H18IN3OS/c12-10-8-14-11(17-10)9-13-2-1-3-15-4-6-16-7-5-15/h8,13H,1-7,9H2
InChIKeyDNBGODAMGOBYTB-UHFFFAOYSA-N
XLogP1.56
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.26
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(5-iodo-1,3-thiazol-2-yl)methyl]-3-morpholin-4-ylpropan-1-amine?
The IUPAC name of N-[(5-iodo-1,3-thiazol-2-yl)methyl]-3-morpholin-4-ylpropan-1-amine (CID 112755271) is N-[(5-iodo-1,3-thiazol-2-yl)methyl]-3-morpholin-4-ylpropan-1-amine.
What is the SMILES notation for N-[(5-iodo-1,3-thiazol-2-yl)methyl]-3-morpholin-4-ylpropan-1-amine?
The canonical SMILES for N-[(5-iodo-1,3-thiazol-2-yl)methyl]-3-morpholin-4-ylpropan-1-amine is Ic1cnc(CNCCCN2CCOCC2)s1.
What is the InChIKey of N-[(5-iodo-1,3-thiazol-2-yl)methyl]-3-morpholin-4-ylpropan-1-amine?
The InChIKey is DNBGODAMGOBYTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18IN3OS/c12-10-8-14-11(17-10)9-13-2-1-3-15-4-6-16-7-5-15/h8,13H,1-7,9H2.
What are the key properties of N-[(5-iodo-1,3-thiazol-2-yl)methyl]-3-morpholin-4-ylpropan-1-amine?
N-[(5-iodo-1,3-thiazol-2-yl)methyl]-3-morpholin-4-ylpropan-1-amine has a molecular weight of 367.26 g/mol, XLogP of 1.56, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-iodo-1,3-thiazol-2-yl)methyl]-3-morpholin-4-ylpropan-1-amine is sourced from PubChem (CID 112755271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).