2-cyclopropyl-5-iodo-1,3-thiazole

C6H6INS — CID 126976994

IUPAC2-cyclopropyl-5-iodo-1,3-thiazole
SMILESIc1cnc(C2CC2)s1
InChIInChI=1S/C6H6INS/c7-5-3-8-6(9-5)4-1-2-4/h3-4H,1-2H2
InChIKeyNGWFJJBWKKJQCA-UHFFFAOYSA-N
MW251.09 g/mol
LogP2.63
Rot. Bonds1

About 2-cyclopropyl-5-iodo-1,3-thiazole

2-cyclopropyl-5-iodo-1,3-thiazole (PubChem CID 126976994) has the molecular formula C6H6INS and a molecular weight of 251.09 g/mol. Its IUPAC name is 2-cyclopropyl-5-iodo-1,3-thiazole.

Molecular Properties

Compound Name2-cyclopropyl-5-iodo-1,3-thiazole
PubChem CID126976994
Molecular FormulaC6H6INS
Molecular Weight251.09 g/mol
Exact Mass250.93
IUPAC Name2-cyclopropyl-5-iodo-1,3-thiazole
SMILESIc1cnc(C2CC2)s1
InChIInChI=1S/C6H6INS/c7-5-3-8-6(9-5)4-1-2-4/h3-4H,1-2H2
InChIKeyNGWFJJBWKKJQCA-UHFFFAOYSA-N
XLogP2.63
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.09
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-iodo-2-[5-(iodomethyl)oxolan-2-yl]-1,3-thiazole
CID 130583464
[5-(5-iodo-1,3-thiazol-2-yl)oxolan-2-yl]methanamine
CID 126983724
2-cyclopropyl-1,3-thiazole-5-sulfonyl chloride
CID 122163904
1-(2-cyclopropyl-1,3-thiazol-5-yl)-N-methylmethanimine
CID 118654672
2-cyclopropyl-1,3-thiazole-5-sulfinic acid
CID 165456056
2-(2-cyclopropyl-1,3-thiazol-5-yl)cyclobutan-1-amine
CID 164657778
N-methyl-2-[4-(methylamino)cyclohexyl]-1,3-thiazol-5-amine
CID 167262274
N-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]-3,3,3-trifluoropropan-1-amine
CID 115699018
2-piperidin-4-yl-1,3-thiazol-5-amine
CID 172992650
2-[2-(thian-4-yl)-1,3-thiazol-5-yl]acetaldehyde
CID 115089914
1-(2-cycloheptyl-1,3-thiazol-5-yl)-N-methylethanamine
CID 65399762
4-(5-iodo-1,3-thiazol-2-yl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
CID 165470258

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-iodo-1,3-thiazole?
The IUPAC name of 2-cyclopropyl-5-iodo-1,3-thiazole (CID 126976994) is 2-cyclopropyl-5-iodo-1,3-thiazole.
What is the SMILES notation for 2-cyclopropyl-5-iodo-1,3-thiazole?
The canonical SMILES for 2-cyclopropyl-5-iodo-1,3-thiazole is Ic1cnc(C2CC2)s1.
What is the InChIKey of 2-cyclopropyl-5-iodo-1,3-thiazole?
The InChIKey is NGWFJJBWKKJQCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6INS/c7-5-3-8-6(9-5)4-1-2-4/h3-4H,1-2H2.
What are the key properties of 2-cyclopropyl-5-iodo-1,3-thiazole?
2-cyclopropyl-5-iodo-1,3-thiazole has a molecular weight of 251.09 g/mol, XLogP of 2.63, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-iodo-1,3-thiazole is sourced from PubChem (CID 126976994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).