(3-iodothiophen-2-yl)-(1,2-thiazol-5-yl)methanamine

C8H7IN2S2 — CID 130914169

IUPAC(3-iodothiophen-2-yl)-(1,2-thiazol-5-yl)methanamine
SMILESNC(c1ccns1)c1sccc1I
InChIInChI=1S/C8H7IN2S2/c9-5-2-4-12-8(5)7(10)6-1-3-11-13-6/h1-4,7H,10H2
InChIKeyCQTHXTOTXNVCCQ-UHFFFAOYSA-N
MW322.20 g/mol
LogP2.86
Rot. Bonds2

About (3-iodothiophen-2-yl)-(1,2-thiazol-5-yl)methanamine

(3-iodothiophen-2-yl)-(1,2-thiazol-5-yl)methanamine (PubChem CID 130914169) has the molecular formula C8H7IN2S2 and a molecular weight of 322.20 g/mol. Its IUPAC name is (3-iodothiophen-2-yl)-(1,2-thiazol-5-yl)methanamine.

Molecular Properties

Compound Name(3-iodothiophen-2-yl)-(1,2-thiazol-5-yl)methanamine
PubChem CID130914169
Molecular FormulaC8H7IN2S2
Molecular Weight322.20 g/mol
Exact Mass321.91
IUPAC Name(3-iodothiophen-2-yl)-(1,2-thiazol-5-yl)methanamine
SMILESNC(c1ccns1)c1sccc1I
InChIInChI=1S/C8H7IN2S2/c9-5-2-4-12-8(5)7(10)6-1-3-11-13-6/h1-4,7H,10H2
InChIKeyCQTHXTOTXNVCCQ-UHFFFAOYSA-N
XLogP2.86
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.20
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(3-iodothiophen-2-yl)ethanamine
CID 130160720
(4-methylthiophen-2-yl)-(1,2-thiazol-5-yl)methanamine
CID 131015174
2-(1H-imidazol-2-yl)-1-(3-iodothiophen-2-yl)ethanamine
CID 130576033
1-(1,2-thiazol-5-yl)ethane-1,2-diamine
CID 55274616
(2-chlorofuran-3-yl)-(1,2-thiazol-5-yl)methanamine
CID 131015361
1,2-thiazol-5-yl(1,3-thiazol-2-yl)methanol
CID 131172938
1-(3-iodothiophen-2-yl)but-3-en-1-amine
CID 130160724
5-(dichloromethyl)-1,2-thiazole
CID 174910086
(5-bromofuran-3-yl)-(1,2-thiazol-5-yl)methanamine
CID 130855940
2,3-diiodothiophene
CID 630668
(R)-(3-bromothiophen-2-yl)-thiophen-2-ylmethanamine;hydrochloride
CID 171211028
[1,2-thiazol-5-yl(thiophen-3-yl)methyl]hydrazine
CID 130856141

Frequently Asked Questions

What is the IUPAC name of (3-iodothiophen-2-yl)-(1,2-thiazol-5-yl)methanamine?
The IUPAC name of (3-iodothiophen-2-yl)-(1,2-thiazol-5-yl)methanamine (CID 130914169) is (3-iodothiophen-2-yl)-(1,2-thiazol-5-yl)methanamine.
What is the SMILES notation for (3-iodothiophen-2-yl)-(1,2-thiazol-5-yl)methanamine?
The canonical SMILES for (3-iodothiophen-2-yl)-(1,2-thiazol-5-yl)methanamine is NC(c1ccns1)c1sccc1I.
What is the InChIKey of (3-iodothiophen-2-yl)-(1,2-thiazol-5-yl)methanamine?
The InChIKey is CQTHXTOTXNVCCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7IN2S2/c9-5-2-4-12-8(5)7(10)6-1-3-11-13-6/h1-4,7H,10H2.
What are the key properties of (3-iodothiophen-2-yl)-(1,2-thiazol-5-yl)methanamine?
(3-iodothiophen-2-yl)-(1,2-thiazol-5-yl)methanamine has a molecular weight of 322.20 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-iodothiophen-2-yl)-(1,2-thiazol-5-yl)methanamine is sourced from PubChem (CID 130914169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).