(4-iodo-1,3-thiazol-2-yl)methanamine

C4H5IN2S — CID 148764752

IUPAC(4-iodo-1,3-thiazol-2-yl)methanamine
SMILESNCc1nc(I)cs1
InChIInChI=1S/C4H5IN2S/c5-3-2-8-4(1-6)7-3/h2H,1,6H2
InChIKeyOHFYXOKIONAZAM-UHFFFAOYSA-N
MW240.07 g/mol
LogP1.21
Rot. Bonds1

About (4-iodo-1,3-thiazol-2-yl)methanamine

(4-iodo-1,3-thiazol-2-yl)methanamine (PubChem CID 148764752) has the molecular formula C4H5IN2S and a molecular weight of 240.07 g/mol. Its IUPAC name is (4-iodo-1,3-thiazol-2-yl)methanamine.

Molecular Properties

Compound Name(4-iodo-1,3-thiazol-2-yl)methanamine
PubChem CID148764752
Molecular FormulaC4H5IN2S
Molecular Weight240.07 g/mol
Exact Mass239.92
IUPAC Name(4-iodo-1,3-thiazol-2-yl)methanamine
SMILESNCc1nc(I)cs1
InChIInChI=1S/C4H5IN2S/c5-3-2-8-4(1-6)7-3/h2H,1,6H2
InChIKeyOHFYXOKIONAZAM-UHFFFAOYSA-N
XLogP1.21
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.07
LogP ≤ 51.21
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

(4-bromo-1,3-thiazol-2-yl)methanamine;hydrochloride
CID 44630590
[2-(aminomethyl)-1,3-thiazol-4-yl]methanethiol
CID 82502783
2-(aminomethyl)-N-methyl-1,3-thiazol-4-amine
CID 67482223
[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methanamine
CID 3299475
(4-pentyl-1,3-thiazol-2-yl)methanamine
CID 69371976
[4-(ethoxymethyl)-1,3-thiazol-2-yl]methanamine
CID 62445438
[4-(2,3,4,5,6-pentadeuteriophenyl)-1,3-thiazol-2-yl]methanamine;hydrochloride
CID 171380508
S-[[2-(aminomethyl)-1,3-thiazol-4-yl]] carbamothioate
CID 57313068
2-[4-[2-(aminomethyl)-1,3-thiazol-4-yl]phenyl]ethanol
CID 177213741
(4-propan-2-ylsulfonyl-1,3-thiazol-2-yl)methanamine
CID 91158217
1-[2-(aminomethyl)-1,3-thiazol-4-yl]prop-2-en-1-one
CID 116585165
[4-(1,3-benzoxazol-2-yl)-1,3-thiazol-2-yl]methanamine
CID 66380723

Frequently Asked Questions

What is the IUPAC name of (4-iodo-1,3-thiazol-2-yl)methanamine?
The IUPAC name of (4-iodo-1,3-thiazol-2-yl)methanamine (CID 148764752) is (4-iodo-1,3-thiazol-2-yl)methanamine.
What is the SMILES notation for (4-iodo-1,3-thiazol-2-yl)methanamine?
The canonical SMILES for (4-iodo-1,3-thiazol-2-yl)methanamine is NCc1nc(I)cs1.
What is the InChIKey of (4-iodo-1,3-thiazol-2-yl)methanamine?
The InChIKey is OHFYXOKIONAZAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5IN2S/c5-3-2-8-4(1-6)7-3/h2H,1,6H2.
What are the key properties of (4-iodo-1,3-thiazol-2-yl)methanamine?
(4-iodo-1,3-thiazol-2-yl)methanamine has a molecular weight of 240.07 g/mol, XLogP of 1.21, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-iodo-1,3-thiazol-2-yl)methanamine is sourced from PubChem (CID 148764752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).