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

C7H11IN2S — CID 66223893

IUPACN-[(5-iodo-1,3-thiazol-2-yl)methyl]propan-2-amine
SMILESCC(C)NCc1ncc(I)s1
InChIInChI=1S/C7H11IN2S/c1-5(2)9-4-7-10-3-6(8)11-7/h3,5,9H,4H2,1-2H3
InChIKeyOIRDZZMTJKEVAX-UHFFFAOYSA-N
MW282.15 g/mol
LogP2.25
Rot. Bonds3

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

N-[(5-iodo-1,3-thiazol-2-yl)methyl]propan-2-amine (PubChem CID 66223893) has the molecular formula C7H11IN2S and a molecular weight of 282.15 g/mol. Its IUPAC name is N-[(5-iodo-1,3-thiazol-2-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(5-iodo-1,3-thiazol-2-yl)methyl]propan-2-amine
PubChem CID66223893
Molecular FormulaC7H11IN2S
Molecular Weight282.15 g/mol
Exact Mass281.97
IUPAC NameN-[(5-iodo-1,3-thiazol-2-yl)methyl]propan-2-amine
SMILESCC(C)NCc1ncc(I)s1
InChIInChI=1S/C7H11IN2S/c1-5(2)9-4-7-10-3-6(8)11-7/h3,5,9H,4H2,1-2H3
InChIKeyOIRDZZMTJKEVAX-UHFFFAOYSA-N
XLogP2.25
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.15
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(5-chloro-1,3-thiazol-2-yl)methyl]propan-2-amine
CID 66223891
(2S)-1-[(5-iodo-1,3-thiazol-2-yl)methylamino]propan-2-ol
CID 125142780
4-tert-butyl-N-[(5-iodo-1,3-thiazol-2-yl)methyl]aniline
CID 112755253
N-[(5-iodo-1,3-thiazol-2-yl)methyl]aniline
CID 130541161
N-[(5-iodo-1,3-thiazol-2-yl)methyl]thian-4-amine
CID 130541239
N-[(2-bromo-1,3-thiazol-5-yl)methyl]propan-2-amine
CID 117192655
N-[(5-iodo-1,3-thiazol-2-yl)methyl]-N-methylbut-3-yn-2-amine
CID 130748483
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-[(5-iodo-1,3-thiazol-2-yl)methyl]methanamine
CID 112755344
1-cyclopentyl-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 115724938
N-[(2-cyclobutyl-1,3-thiazol-5-yl)methyl]propan-2-amine
CID 64984724
2-[(5-chloro-1,3-thiazol-2-yl)methylamino]-N-propan-2-ylpropanamide
CID 107124162
N-[(5-propan-2-yl-1H-imidazol-2-yl)methyl]propan-2-amine
CID 82237976

Frequently Asked Questions

What is the IUPAC name of N-[(5-iodo-1,3-thiazol-2-yl)methyl]propan-2-amine?
The IUPAC name of N-[(5-iodo-1,3-thiazol-2-yl)methyl]propan-2-amine (CID 66223893) is N-[(5-iodo-1,3-thiazol-2-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(5-iodo-1,3-thiazol-2-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(5-iodo-1,3-thiazol-2-yl)methyl]propan-2-amine is CC(C)NCc1ncc(I)s1.
What is the InChIKey of N-[(5-iodo-1,3-thiazol-2-yl)methyl]propan-2-amine?
The InChIKey is OIRDZZMTJKEVAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11IN2S/c1-5(2)9-4-7-10-3-6(8)11-7/h3,5,9H,4H2,1-2H3.
What are the key properties of N-[(5-iodo-1,3-thiazol-2-yl)methyl]propan-2-amine?
N-[(5-iodo-1,3-thiazol-2-yl)methyl]propan-2-amine has a molecular weight of 282.15 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-iodo-1,3-thiazol-2-yl)methyl]propan-2-amine is sourced from PubChem (CID 66223893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).