4-methyl-2-piperazin-1-yl-1,3-thiazole

C8H13N3S — CID 14479872

IUPAC4-methyl-2-piperazin-1-yl-1,3-thiazole
SMILESCc1csc(N2CCNCC2)n1
InChIInChI=1S/C8H13N3S/c1-7-6-12-8(10-7)11-4-2-9-3-5-11/h6,9H,2-5H2,1H3
InChIKeyUGWOIKOTDJQPST-UHFFFAOYSA-N
MW183.28 g/mol
LogP0.86
Rot. Bonds1

About 4-methyl-2-piperazin-1-yl-1,3-thiazole

4-methyl-2-piperazin-1-yl-1,3-thiazole (PubChem CID 14479872) has the molecular formula C8H13N3S and a molecular weight of 183.28 g/mol. Its IUPAC name is 4-methyl-2-piperazin-1-yl-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-2-piperazin-1-yl-1,3-thiazole
PubChem CID14479872
Molecular FormulaC8H13N3S
Molecular Weight183.28 g/mol
Exact Mass183.08
IUPAC Name4-methyl-2-piperazin-1-yl-1,3-thiazole
SMILESCc1csc(N2CCNCC2)n1
InChIInChI=1S/C8H13N3S/c1-7-6-12-8(10-7)11-4-2-9-3-5-11/h6,9H,2-5H2,1H3
InChIKeyUGWOIKOTDJQPST-UHFFFAOYSA-N
XLogP0.86
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.28
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Tiotidine
CID 50287
N,4-dimethyl-1,3-thiazol-2-amine
CID 817030
N-(4,5-dihydro-1H-imidazol-2-yl)-4-methyl-1,3-thiazol-2-amine;hydrochloride
CID 44523097
1-(4-Methyl-1,3-thiazol-2-yl)-1,4-diazepane
CID 16787685
4-(aminomethyl)-N,N-dimethyl-1,3-thiazol-2-amine
CID 28948815
(E)-1-(4-ethylpiperazin-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)methanimine
CID 9568130
1-[4-(Trifluoromethyl)-1,3-thiazol-2-yl]piperazine
CID 13747810
1-(Dimethyl-1,3-thiazol-2-yl)piperazine
CID 19915765
N-cyclopropyl-4-methyl-1,3-thiazol-2-amine
CID 21803358
4-(Aminomethyl)-N,N-dimethyl-1,3-thiazol-2-amine dihydrochloride
CID 47000696
BL 6341A
CID 5477889
N,N-Dimethyl-N'-(4-methyl-1,3-thiazol-2-yl)thiourea
CID 3613328

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-piperazin-1-yl-1,3-thiazole?
The IUPAC name of 4-methyl-2-piperazin-1-yl-1,3-thiazole (CID 14479872) is 4-methyl-2-piperazin-1-yl-1,3-thiazole.
What is the SMILES notation for 4-methyl-2-piperazin-1-yl-1,3-thiazole?
The canonical SMILES for 4-methyl-2-piperazin-1-yl-1,3-thiazole is Cc1csc(N2CCNCC2)n1.
What is the InChIKey of 4-methyl-2-piperazin-1-yl-1,3-thiazole?
The InChIKey is UGWOIKOTDJQPST-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3S/c1-7-6-12-8(10-7)11-4-2-9-3-5-11/h6,9H,2-5H2,1H3.
What are the key properties of 4-methyl-2-piperazin-1-yl-1,3-thiazole?
4-methyl-2-piperazin-1-yl-1,3-thiazole has a molecular weight of 183.28 g/mol, XLogP of 0.86, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-piperazin-1-yl-1,3-thiazole is sourced from PubChem (CID 14479872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).