5-(cyclopropylmethyl)-2-iodo-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine

C10H13IN2S — CID 90062906

IUPAC5-(cyclopropylmethyl)-2-iodo-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine
SMILESIc1nc2c(s1)CN(CC1CC1)CC2
InChIInChI=1S/C10H13IN2S/c11-10-12-8-3-4-13(5-7-1-2-7)6-9(8)14-10/h7H,1-6H2
InChIKeyRVNMSKJIKGDIIW-UHFFFAOYSA-N
MW320.20 g/mol
LogP2.52
Rot. Bonds2

About 5-(cyclopropylmethyl)-2-iodo-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine

5-(cyclopropylmethyl)-2-iodo-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine (PubChem CID 90062906) has the molecular formula C10H13IN2S and a molecular weight of 320.20 g/mol. Its IUPAC name is 5-(cyclopropylmethyl)-2-iodo-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine.

Molecular Properties

Compound Name5-(cyclopropylmethyl)-2-iodo-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine
PubChem CID90062906
Molecular FormulaC10H13IN2S
Molecular Weight320.20 g/mol
Exact Mass319.98
IUPAC Name5-(cyclopropylmethyl)-2-iodo-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine
SMILESIc1nc2c(s1)CN(CC1CC1)CC2
InChIInChI=1S/C10H13IN2S/c11-10-12-8-3-4-13(5-7-1-2-7)6-9(8)14-10/h7H,1-6H2
InChIKeyRVNMSKJIKGDIIW-UHFFFAOYSA-N
XLogP2.52
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.20
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropylmethyl)-2-iodo-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine?
The IUPAC name of 5-(cyclopropylmethyl)-2-iodo-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine (CID 90062906) is 5-(cyclopropylmethyl)-2-iodo-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine.
What is the SMILES notation for 5-(cyclopropylmethyl)-2-iodo-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine?
The canonical SMILES for 5-(cyclopropylmethyl)-2-iodo-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine is Ic1nc2c(s1)CN(CC1CC1)CC2.
What is the InChIKey of 5-(cyclopropylmethyl)-2-iodo-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine?
The InChIKey is RVNMSKJIKGDIIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13IN2S/c11-10-12-8-3-4-13(5-7-1-2-7)6-9(8)14-10/h7H,1-6H2.
What are the key properties of 5-(cyclopropylmethyl)-2-iodo-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine?
5-(cyclopropylmethyl)-2-iodo-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine has a molecular weight of 320.20 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropylmethyl)-2-iodo-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine is sourced from PubChem (CID 90062906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).