4-(5-iodo-1,3-thiazol-2-yl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine

C10H9IN2S2 — CID 165470258

IUPAC4-(5-iodo-1,3-thiazol-2-yl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
SMILESIc1cnc(C2NCCc3sccc32)s1
InChIInChI=1S/C10H9IN2S2/c11-8-5-13-10(15-8)9-6-2-4-14-7(6)1-3-12-9/h2,4-5,9,12H,1,3H2
InChIKeyXFNIDNDHKIYDFV-UHFFFAOYSA-N
MW348.23 g/mol
LogP3.04
Rot. Bonds1

About 4-(5-iodo-1,3-thiazol-2-yl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine

4-(5-iodo-1,3-thiazol-2-yl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine (PubChem CID 165470258) has the molecular formula C10H9IN2S2 and a molecular weight of 348.23 g/mol. Its IUPAC name is 4-(5-iodo-1,3-thiazol-2-yl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine.

Molecular Properties

Compound Name4-(5-iodo-1,3-thiazol-2-yl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
PubChem CID165470258
Molecular FormulaC10H9IN2S2
Molecular Weight348.23 g/mol
Exact Mass347.93
IUPAC Name4-(5-iodo-1,3-thiazol-2-yl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
SMILESIc1cnc(C2NCCc3sccc32)s1
InChIInChI=1S/C10H9IN2S2/c11-8-5-13-10(15-8)9-6-2-4-14-7(6)1-3-12-9/h2,4-5,9,12H,1,3H2
InChIKeyXFNIDNDHKIYDFV-UHFFFAOYSA-N
XLogP3.04
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.23
LogP ≤ 53.04
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

4-(5-bromo-4-methyl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
CID 165477878
(4R)-4-thiophen-2-yl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
CID 7130977
4-(pyridin-4-ylmethyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
CID 102551191
(4S)-4-(4-nitrophenyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
CID 7062069
5-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-4-yl)-1,2,4-oxadiazole-3-carboxylic acid
CID 112632061
4-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
CID 62721784
4-cyclohex-3-en-1-yl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
CID 165470262
3-pyrimidin-4-yl-5-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-4-yl)-1,2,4-oxadiazole
CID 115528900
7-bromo-2-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-4-yl)-1,3-benzoxazole
CID 81496252
3-piperidin-1-yl-5-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-4-yl)-1,2,4-oxadiazole
CID 116807334
4-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
CID 62722912
3-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-4-yl)-1,2,4-oxadiazole
CID 62797030

Frequently Asked Questions

What is the IUPAC name of 4-(5-iodo-1,3-thiazol-2-yl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine?
The IUPAC name of 4-(5-iodo-1,3-thiazol-2-yl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine (CID 165470258) is 4-(5-iodo-1,3-thiazol-2-yl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine.
What is the SMILES notation for 4-(5-iodo-1,3-thiazol-2-yl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine?
The canonical SMILES for 4-(5-iodo-1,3-thiazol-2-yl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine is Ic1cnc(C2NCCc3sccc32)s1.
What is the InChIKey of 4-(5-iodo-1,3-thiazol-2-yl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine?
The InChIKey is XFNIDNDHKIYDFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9IN2S2/c11-8-5-13-10(15-8)9-6-2-4-14-7(6)1-3-12-9/h2,4-5,9,12H,1,3H2.
What are the key properties of 4-(5-iodo-1,3-thiazol-2-yl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine?
4-(5-iodo-1,3-thiazol-2-yl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine has a molecular weight of 348.23 g/mol, XLogP of 3.04, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-iodo-1,3-thiazol-2-yl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine is sourced from PubChem (CID 165470258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).