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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-iodo-5-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine
CID 90062904
5-(cyclohexylmethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine
CID 91033036
2-[4-(cyclohexylmethyl)piperazin-1-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine
CID 91913671
2-(chloromethyl)-5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine
CID 62923059
5-ethyl-2-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine
CID 70919757
5-(2,2-dimethylpropyl)-2-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine
CID 118375132
(5-propyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)methanol
CID 62921639
4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)cyclohexan-1-amine
CID 54928022
N-[(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)methyl]-2-methylpropan-1-amine
CID 62923045
N-[(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)methyl]cyclopropanamine
CID 62542862
N-[5-[2-(cyclopropylamino)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclobutanecarboxamide
CID 90531346
7-(cyclopentylmethyl)-2-(cyclopropylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 24930470

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).