(5-iodothiophen-3-yl)-(2-methylpiperazin-1-yl)methanone;hydrochloride

C10H14ClIN2OS — CID 119470762

IUPAC(5-iodothiophen-3-yl)-(2-methylpiperazin-1-yl)methanone;hydrochloride
SMILESCC1CNCCN1C(=O)c1csc(I)c1.Cl
InChIInChI=1S/C10H13IN2OS.ClH/c1-7-5-12-2-3-13(7)10(14)8-4-9(11)15-6-8;/h4,6-7,12H,2-3,5H2,1H3;1H
InChIKeyUXKWKLNBGOHJHI-UHFFFAOYSA-N
MW372.66 g/mol
LogP2.21
Rot. Bonds1

About (5-iodothiophen-3-yl)-(2-methylpiperazin-1-yl)methanone;hydrochloride

(5-iodothiophen-3-yl)-(2-methylpiperazin-1-yl)methanone;hydrochloride (PubChem CID 119470762) has the molecular formula C10H14ClIN2OS and a molecular weight of 372.66 g/mol. Its IUPAC name is (5-iodothiophen-3-yl)-(2-methylpiperazin-1-yl)methanone;hydrochloride.

Molecular Properties

Compound Name(5-iodothiophen-3-yl)-(2-methylpiperazin-1-yl)methanone;hydrochloride
PubChem CID119470762
Molecular FormulaC10H14ClIN2OS
Molecular Weight372.66 g/mol
Exact Mass371.96
IUPAC Name(5-iodothiophen-3-yl)-(2-methylpiperazin-1-yl)methanone;hydrochloride
SMILESCC1CNCCN1C(=O)c1csc(I)c1.Cl
InChIInChI=1S/C10H13IN2OS.ClH/c1-7-5-12-2-3-13(7)10(14)8-4-9(11)15-6-8;/h4,6-7,12H,2-3,5H2,1H3;1H
InChIKeyUXKWKLNBGOHJHI-UHFFFAOYSA-N
XLogP2.21
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.66
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(5-bromothiophen-3-yl)-(2-methylpiperazin-1-yl)methanone;hydrochloride
CID 119473006
(4-iodophenyl)-(2-methylpiperazin-1-yl)methanone
CID 62671877
1-(5-iodothiophene-3-carbonyl)piperazine-2-carboxylic acid
CID 79693821
N-ethyl-1-(5-iodothiophene-3-carbonyl)piperazine-2-carboxamide
CID 79694089
1-benzothiophen-5-yl-(2-methylpiperazin-1-yl)methanone;hydrochloride
CID 119471361
(3-chloro-4-iodophenyl)-[(2S)-2-methylpiperazin-1-yl]methanone
CID 103866778
(4-chlorophenyl)-(2-methylpiperazin-1-yl)methanone;hydrochloride
CID 119472310
(4-methylphenyl)-[(2S)-2-methylpiperazin-1-yl]methanone
CID 82705562
(3-fluorophenyl)-[(2S)-2-methylpiperazin-1-yl]methanone;hydrochloride
CID 68757495
(4-tert-butylphenyl)-(2-methylpiperazin-1-yl)methanone
CID 62673639
(4-tert-butylphenyl)-[(2S)-2-methylpiperazin-1-yl]methanone
CID 82705106
(3-fluorophenyl)-(2-methylpiperazin-1-yl)methanone
CID 62672072

Frequently Asked Questions

What is the IUPAC name of (5-iodothiophen-3-yl)-(2-methylpiperazin-1-yl)methanone;hydrochloride?
The IUPAC name of (5-iodothiophen-3-yl)-(2-methylpiperazin-1-yl)methanone;hydrochloride (CID 119470762) is (5-iodothiophen-3-yl)-(2-methylpiperazin-1-yl)methanone;hydrochloride.
What is the SMILES notation for (5-iodothiophen-3-yl)-(2-methylpiperazin-1-yl)methanone;hydrochloride?
The canonical SMILES for (5-iodothiophen-3-yl)-(2-methylpiperazin-1-yl)methanone;hydrochloride is CC1CNCCN1C(=O)c1csc(I)c1.Cl.
What is the InChIKey of (5-iodothiophen-3-yl)-(2-methylpiperazin-1-yl)methanone;hydrochloride?
The InChIKey is UXKWKLNBGOHJHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13IN2OS.ClH/c1-7-5-12-2-3-13(7)10(14)8-4-9(11)15-6-8;/h4,6-7,12H,2-3,5H2,1H3;1H.
What are the key properties of (5-iodothiophen-3-yl)-(2-methylpiperazin-1-yl)methanone;hydrochloride?
(5-iodothiophen-3-yl)-(2-methylpiperazin-1-yl)methanone;hydrochloride has a molecular weight of 372.66 g/mol, XLogP of 2.21, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-iodothiophen-3-yl)-(2-methylpiperazin-1-yl)methanone;hydrochloride is sourced from PubChem (CID 119470762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).