(2,5-dichlorothiophen-3-yl)-(3-methylpiperazin-1-yl)methanone

C10H12Cl2N2OS — CID 103806964

IUPAC(2,5-dichlorothiophen-3-yl)-(3-methylpiperazin-1-yl)methanone
SMILESCC1CN(C(=O)c2cc(Cl)sc2Cl)CCN1
InChIInChI=1S/C10H12Cl2N2OS/c1-6-5-14(3-2-13-6)10(15)7-4-8(11)16-9(7)12/h4,6,13H,2-3,5H2,1H3
InChIKeyMBHVHQZFTXBTKI-UHFFFAOYSA-N
MW279.19 g/mol
LogP2.49
Rot. Bonds1

About (2,5-dichlorothiophen-3-yl)-(3-methylpiperazin-1-yl)methanone

(2,5-dichlorothiophen-3-yl)-(3-methylpiperazin-1-yl)methanone (PubChem CID 103806964) has the molecular formula C10H12Cl2N2OS and a molecular weight of 279.19 g/mol. Its IUPAC name is (2,5-dichlorothiophen-3-yl)-(3-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(2,5-dichlorothiophen-3-yl)-(3-methylpiperazin-1-yl)methanone
PubChem CID103806964
Molecular FormulaC10H12Cl2N2OS
Molecular Weight279.19 g/mol
Exact Mass278.00
IUPAC Name(2,5-dichlorothiophen-3-yl)-(3-methylpiperazin-1-yl)methanone
SMILESCC1CN(C(=O)c2cc(Cl)sc2Cl)CCN1
InChIInChI=1S/C10H12Cl2N2OS/c1-6-5-14(3-2-13-6)10(15)7-4-8(11)16-9(7)12/h4,6,13H,2-3,5H2,1H3
InChIKeyMBHVHQZFTXBTKI-UHFFFAOYSA-N
XLogP2.49
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.19
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2,5-dichlorothiophen-3-yl)-piperazin-1-ylmethanone
CID 103629624
(2,5-dichlorophenyl)-(3-methylpiperazin-1-yl)methanone
CID 65419188
(2-chlorophenyl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 81427998
(2,5-dibromothiophen-3-yl)-(3-methylpiperazin-1-yl)methanone
CID 103806970
(4-amino-3-methylpiperidin-1-yl)-(2,5-dichlorothiophen-3-yl)methanone
CID 103807093
(2-chlorofuran-3-yl)-(3-methylpiperazin-1-yl)methanone
CID 106683662
[(3R)-3-aminopyrrolidin-1-yl]-(2,5-dichlorothiophen-3-yl)methanone
CID 103805040
(2-chloro-4-fluorophenyl)-[(3S)-3-methylpiperazin-1-yl]methanone
CID 81428671
(5-chloro-2-methylphenyl)-(3-methylpiperazin-1-yl)methanone
CID 82883730
(3-aminopyrrolidin-1-yl)-(2,5-dichlorothiophen-3-yl)methanone;hydrochloride
CID 119482772
(2,3-dichlorophenyl)-(3-methylpiperazin-1-yl)methanone
CID 65449557
(4-chloro-2-methoxyphenyl)-(3-methylpiperazin-1-yl)methanone;hydrochloride
CID 119580362

Frequently Asked Questions

What is the IUPAC name of (2,5-dichlorothiophen-3-yl)-(3-methylpiperazin-1-yl)methanone?
The IUPAC name of (2,5-dichlorothiophen-3-yl)-(3-methylpiperazin-1-yl)methanone (CID 103806964) is (2,5-dichlorothiophen-3-yl)-(3-methylpiperazin-1-yl)methanone.
What is the SMILES notation for (2,5-dichlorothiophen-3-yl)-(3-methylpiperazin-1-yl)methanone?
The canonical SMILES for (2,5-dichlorothiophen-3-yl)-(3-methylpiperazin-1-yl)methanone is CC1CN(C(=O)c2cc(Cl)sc2Cl)CCN1.
What is the InChIKey of (2,5-dichlorothiophen-3-yl)-(3-methylpiperazin-1-yl)methanone?
The InChIKey is MBHVHQZFTXBTKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2N2OS/c1-6-5-14(3-2-13-6)10(15)7-4-8(11)16-9(7)12/h4,6,13H,2-3,5H2,1H3.
What are the key properties of (2,5-dichlorothiophen-3-yl)-(3-methylpiperazin-1-yl)methanone?
(2,5-dichlorothiophen-3-yl)-(3-methylpiperazin-1-yl)methanone has a molecular weight of 279.19 g/mol, XLogP of 2.49, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dichlorothiophen-3-yl)-(3-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 103806964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).