2-chloro-5-[(3-methylpiperazin-1-yl)methyl]-1,3-thiazole

C9H14ClN3S — CID 71639382

IUPAC2-chloro-5-[(3-methylpiperazin-1-yl)methyl]-1,3-thiazole
SMILESCC1CN(Cc2cnc(Cl)s2)CCN1
InChIInChI=1S/C9H14ClN3S/c1-7-5-13(3-2-11-7)6-8-4-12-9(10)14-8/h4,7,11H,2-3,5-6H2,1H3
InChIKeyZNFIKHXPLMDAKT-UHFFFAOYSA-N
MW231.75 g/mol
LogP1.59
Rot. Bonds2

About 2-chloro-5-[(3-methylpiperazin-1-yl)methyl]-1,3-thiazole

2-chloro-5-[(3-methylpiperazin-1-yl)methyl]-1,3-thiazole (PubChem CID 71639382) has the molecular formula C9H14ClN3S and a molecular weight of 231.75 g/mol. Its IUPAC name is 2-chloro-5-[(3-methylpiperazin-1-yl)methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-chloro-5-[(3-methylpiperazin-1-yl)methyl]-1,3-thiazole
PubChem CID71639382
Molecular FormulaC9H14ClN3S
Molecular Weight231.75 g/mol
Exact Mass231.06
IUPAC Name2-chloro-5-[(3-methylpiperazin-1-yl)methyl]-1,3-thiazole
SMILESCC1CN(Cc2cnc(Cl)s2)CCN1
InChIInChI=1S/C9H14ClN3S/c1-7-5-13(3-2-11-7)6-8-4-12-9(10)14-8/h4,7,11H,2-3,5-6H2,1H3
InChIKeyZNFIKHXPLMDAKT-UHFFFAOYSA-N
XLogP1.59
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.75
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(3-methylpiperazin-1-yl)methyl]-2-(trifluoromethyl)-1,3-thiazole
CID 120840264
5-[[(3S)-3-methylpiperazin-1-yl]methyl]-2-(trifluoromethyl)-1,3-thiazole
CID 120845864
2-chloro-5-[[(3R)-3-methylpiperazin-1-yl]methyl]pyrazine
CID 103055291
(3R)-3-methyl-1-[(5-methylthiophen-2-yl)methyl]piperazine
CID 103885885
1-[(4-chlorothiophen-2-yl)methyl]-3-methylpiperazine;hydrochloride
CID 120840158
[1-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-methylpiperidin-3-yl]methanamine
CID 114961053
2-chloro-5-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]-1,3-thiazole
CID 79765489
(3S)-1-[(2-chloro-1,3-thiazol-5-yl)methyl]piperidin-3-amine
CID 86318021
1-[(2-chloro-1,3-thiazol-5-yl)methyl]-N,N-dimethylpiperidin-3-amine
CID 79764841
3-chloro-6-[[(3S)-3-methylpiperazin-1-yl]methyl]pyridazine
CID 97163264
(3S)-1-[(4,5-dichlorothiophen-3-yl)methyl]-3-methylpiperazine;hydrochloride
CID 120845881
2-chloro-5-[[(2R)-2-methylpiperazin-1-yl]methyl]-1,3-thiazole
CID 82713356

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(3-methylpiperazin-1-yl)methyl]-1,3-thiazole?
The IUPAC name of 2-chloro-5-[(3-methylpiperazin-1-yl)methyl]-1,3-thiazole (CID 71639382) is 2-chloro-5-[(3-methylpiperazin-1-yl)methyl]-1,3-thiazole.
What is the SMILES notation for 2-chloro-5-[(3-methylpiperazin-1-yl)methyl]-1,3-thiazole?
The canonical SMILES for 2-chloro-5-[(3-methylpiperazin-1-yl)methyl]-1,3-thiazole is CC1CN(Cc2cnc(Cl)s2)CCN1.
What is the InChIKey of 2-chloro-5-[(3-methylpiperazin-1-yl)methyl]-1,3-thiazole?
The InChIKey is ZNFIKHXPLMDAKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN3S/c1-7-5-13(3-2-11-7)6-8-4-12-9(10)14-8/h4,7,11H,2-3,5-6H2,1H3.
What are the key properties of 2-chloro-5-[(3-methylpiperazin-1-yl)methyl]-1,3-thiazole?
2-chloro-5-[(3-methylpiperazin-1-yl)methyl]-1,3-thiazole has a molecular weight of 231.75 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(3-methylpiperazin-1-yl)methyl]-1,3-thiazole is sourced from PubChem (CID 71639382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).