1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-[(5-iodo-1,3-thiazol-2-yl)methyl]methanamine

C12H13IN2S2 — CID 112755344

IUPAC1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-[(5-iodo-1,3-thiazol-2-yl)methyl]methanamine
SMILESIc1cnc(CNCc2cc3c(s2)CCC3)s1
InChIInChI=1S/C12H13IN2S2/c13-11-6-15-12(17-11)7-14-5-9-4-8-2-1-3-10(8)16-9/h4,6,14H,1-3,5,7H2
InChIKeyBIFOUBMVXBKBSW-UHFFFAOYSA-N
MW376.29 g/mol
LogP3.59
Rot. Bonds4

About 1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-[(5-iodo-1,3-thiazol-2-yl)methyl]methanamine

1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-[(5-iodo-1,3-thiazol-2-yl)methyl]methanamine (PubChem CID 112755344) has the molecular formula C12H13IN2S2 and a molecular weight of 376.29 g/mol. Its IUPAC name is 1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-[(5-iodo-1,3-thiazol-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-[(5-iodo-1,3-thiazol-2-yl)methyl]methanamine
PubChem CID112755344
Molecular FormulaC12H13IN2S2
Molecular Weight376.29 g/mol
Exact Mass375.96
IUPAC Name1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-[(5-iodo-1,3-thiazol-2-yl)methyl]methanamine
SMILESIc1cnc(CNCc2cc3c(s2)CCC3)s1
InChIInChI=1S/C12H13IN2S2/c13-11-6-15-12(17-11)7-14-5-9-4-8-2-1-3-10(8)16-9/h4,6,14H,1-3,5,7H2
InChIKeyBIFOUBMVXBKBSW-UHFFFAOYSA-N
XLogP3.59
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.29
LogP ≤ 53.59
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-(4-cyclopropylphenyl)-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)methanamine
CID 79969750
N'-tert-butyl-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)ethane-1,2-diamine
CID 113405391
N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-isoquinolin-6-ylmethanamine
CID 107038125
4-[(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)methyl]pyridine-2-carbonitrile
CID 63881524
1-(1-cyclopentylpyrazol-3-yl)-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)methanamine
CID 64800283
N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)pentan-1-amine
CID 61208352
N-cyclopentyl-2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)acetamide
CID 61207061
3-[(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)methyl]benzene-1,2-diol
CID 61320351
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-[(3-methylfuran-2-yl)methyl]methanamine
CID 113243110
N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-(4-methoxyphenyl)methanamine
CID 61208540
2-[5-[(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)methyl]thiophen-2-yl]acetic acid
CID 82893996
N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-(1-pentan-3-ylpyrazol-3-yl)methanamine
CID 64800474

Frequently Asked Questions

What is the IUPAC name of 1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-[(5-iodo-1,3-thiazol-2-yl)methyl]methanamine?
The IUPAC name of 1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-[(5-iodo-1,3-thiazol-2-yl)methyl]methanamine (CID 112755344) is 1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-[(5-iodo-1,3-thiazol-2-yl)methyl]methanamine.
What is the SMILES notation for 1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-[(5-iodo-1,3-thiazol-2-yl)methyl]methanamine?
The canonical SMILES for 1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-[(5-iodo-1,3-thiazol-2-yl)methyl]methanamine is Ic1cnc(CNCc2cc3c(s2)CCC3)s1.
What is the InChIKey of 1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-[(5-iodo-1,3-thiazol-2-yl)methyl]methanamine?
The InChIKey is BIFOUBMVXBKBSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13IN2S2/c13-11-6-15-12(17-11)7-14-5-9-4-8-2-1-3-10(8)16-9/h4,6,14H,1-3,5,7H2.
What are the key properties of 1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-[(5-iodo-1,3-thiazol-2-yl)methyl]methanamine?
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-[(5-iodo-1,3-thiazol-2-yl)methyl]methanamine has a molecular weight of 376.29 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-[(5-iodo-1,3-thiazol-2-yl)methyl]methanamine is sourced from PubChem (CID 112755344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).