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

C9H14ClN3S — CID 82713356

IUPAC2-chloro-5-[[(2R)-2-methylpiperazin-1-yl]methyl]-1,3-thiazole
SMILESC[C@@H]1CNCCN1Cc1cnc(Cl)s1
InChIInChI=1S/C9H14ClN3S/c1-7-4-11-2-3-13(7)6-8-5-12-9(10)14-8/h5,7,11H,2-4,6H2,1H3/t7-/m1/s1
InChIKeyXSQHAQWRZPNHRX-SSDOTTSWSA-N
MW231.75 g/mol
LogP1.59
Rot. Bonds2

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

2-chloro-5-[[(2R)-2-methylpiperazin-1-yl]methyl]-1,3-thiazole (PubChem CID 82713356) has the molecular formula C9H14ClN3S and a molecular weight of 231.75 g/mol. Its IUPAC name is 2-chloro-5-[[(2R)-2-methylpiperazin-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-chloro-5-[[(2R)-2-methylpiperazin-1-yl]methyl]-1,3-thiazole
PubChem CID82713356
Molecular FormulaC9H14ClN3S
Molecular Weight231.75 g/mol
Exact Mass231.06
IUPAC Name2-chloro-5-[[(2R)-2-methylpiperazin-1-yl]methyl]-1,3-thiazole
SMILESC[C@@H]1CNCCN1Cc1cnc(Cl)s1
InChIInChI=1S/C9H14ClN3S/c1-7-4-11-2-3-13(7)6-8-5-12-9(10)14-8/h5,7,11H,2-4,6H2,1H3/t7-/m1/s1
InChIKeyXSQHAQWRZPNHRX-SSDOTTSWSA-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

1-[(2-Chloro-1,3-thiazol-5-yl)methyl]-2-methylpiperidine
CID 4616493
1-[(2-Methyl-1,3-thiazol-5-yl)methyl]piperazine
CID 52319808
N,2-Dimethyl-5-thiazolemethanamine
CID 20312952
1-Allyl-4-[(2-chloro-1,3-thiazol-5-yl)methyl]piperazine
CID 1475127
[(2-Chloro-1,3-thiazol-5-yl)methyl](2-methylpropyl)amine hydrochloride
CID 154814392
N-[(1,3-thiazol-5-yl)methyl]cyclopropanamine hydrochloride
CID 156592108
N-[(1,3-thiazol-5-yl)methyl]cyclopentanamine hydrochloride
CID 167721682
(2S)-2-N-ethyl-1-N,1-N-dimethyl-2-N-(1,3-thiazol-5-ylmethyl)propane-1,2-diamine
CID 100694202
Cyclopropyl-thiazol-5-ylmethyl-amine
CID 28064153
N'-[(2-fluoro-1,3-thiazol-5-yl)methyl]ethane-1,2-diamine
CID 70457961
N'-[[2-[chloro(difluoro)methyl]sulfanyl-1,3-thiazol-5-yl]methyl]ethane-1,2-diamine
CID 70458314
5-(Piperazin-1-ylmethyl)-2-(trifluoromethyl)-1,3-thiazole
CID 120833676

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[[(2R)-2-methylpiperazin-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 2-chloro-5-[[(2R)-2-methylpiperazin-1-yl]methyl]-1,3-thiazole (CID 82713356) is 2-chloro-5-[[(2R)-2-methylpiperazin-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 2-chloro-5-[[(2R)-2-methylpiperazin-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 2-chloro-5-[[(2R)-2-methylpiperazin-1-yl]methyl]-1,3-thiazole is C[C@@H]1CNCCN1Cc1cnc(Cl)s1.
What is the InChIKey of 2-chloro-5-[[(2R)-2-methylpiperazin-1-yl]methyl]-1,3-thiazole?
The InChIKey is XSQHAQWRZPNHRX-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H14ClN3S/c1-7-4-11-2-3-13(7)6-8-5-12-9(10)14-8/h5,7,11H,2-4,6H2,1H3/t7-/m1/s1.
What are the key properties of 2-chloro-5-[[(2R)-2-methylpiperazin-1-yl]methyl]-1,3-thiazole?
2-chloro-5-[[(2R)-2-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-[[(2R)-2-methylpiperazin-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 82713356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).