2-methyl-4-[[4-(5-methyl-1,3-thiazol-2-yl)piperazin-1-yl]methyl]-1,3-thiazole

C13H18N4S2 — CID 133351975

IUPAC2-methyl-4-[[4-(5-methyl-1,3-thiazol-2-yl)piperazin-1-yl]methyl]-1,3-thiazole
SMILESCc1cnc(N2CCN(Cc3csc(C)n3)CC2)s1
InChIInChI=1S/C13H18N4S2/c1-10-7-14-13(19-10)17-5-3-16(4-6-17)8-12-9-18-11(2)15-12/h7,9H,3-6,8H2,1-2H3
InChIKeyRFLVBFGHIBYJHW-UHFFFAOYSA-N
MW294.45 g/mol
LogP2.54
Rot. Bonds3

About 2-methyl-4-[[4-(5-methyl-1,3-thiazol-2-yl)piperazin-1-yl]methyl]-1,3-thiazole

2-methyl-4-[[4-(5-methyl-1,3-thiazol-2-yl)piperazin-1-yl]methyl]-1,3-thiazole (PubChem CID 133351975) has the molecular formula C13H18N4S2 and a molecular weight of 294.45 g/mol. Its IUPAC name is 2-methyl-4-[[4-(5-methyl-1,3-thiazol-2-yl)piperazin-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-methyl-4-[[4-(5-methyl-1,3-thiazol-2-yl)piperazin-1-yl]methyl]-1,3-thiazole
PubChem CID133351975
Molecular FormulaC13H18N4S2
Molecular Weight294.45 g/mol
Exact Mass294.10
IUPAC Name2-methyl-4-[[4-(5-methyl-1,3-thiazol-2-yl)piperazin-1-yl]methyl]-1,3-thiazole
SMILESCc1cnc(N2CCN(Cc3csc(C)n3)CC2)s1
InChIInChI=1S/C13H18N4S2/c1-10-7-14-13(19-10)17-5-3-16(4-6-17)8-12-9-18-11(2)15-12/h7,9H,3-6,8H2,1-2H3
InChIKeyRFLVBFGHIBYJHW-UHFFFAOYSA-N
XLogP2.54
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.45
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-4-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazole
CID 18738458
ethane;2-methyl-4-(pyrrolidin-1-ylmethyl)-1,3-thiazole
CID 143966374
5-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-3-propan-2-yl-1,2,4-thiadiazole
CID 133369902
4-methoxy-2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-1,3-benzothiazole
CID 155799116
5,6-dimethyl-4-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]thieno[2,3-d]pyrimidine
CID 17446302
4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-2-methyl-1,3-thiazole
CID 171701082
4-[[4-(3-bromo-2-pyridinyl)piperazin-1-yl]methyl]-2-methyl-1,3-thiazole
CID 166600976
4-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-2-methyl-1,3-thiazole
CID 154828993
2-methyl-4-(piperazin-1-ylmethyl)-1,3-thiazole;dihydrochloride
CID 46735539
1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-ol
CID 60643680
2-methyl-4-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole;hydrochloride
CID 90485341
2-methyl-4-(1,2,4,5-tetrahydro-3-benzazepin-3-ylmethyl)-1,3-thiazole
CID 157011120

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[[4-(5-methyl-1,3-thiazol-2-yl)piperazin-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 2-methyl-4-[[4-(5-methyl-1,3-thiazol-2-yl)piperazin-1-yl]methyl]-1,3-thiazole (CID 133351975) is 2-methyl-4-[[4-(5-methyl-1,3-thiazol-2-yl)piperazin-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 2-methyl-4-[[4-(5-methyl-1,3-thiazol-2-yl)piperazin-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 2-methyl-4-[[4-(5-methyl-1,3-thiazol-2-yl)piperazin-1-yl]methyl]-1,3-thiazole is Cc1cnc(N2CCN(Cc3csc(C)n3)CC2)s1.
What is the InChIKey of 2-methyl-4-[[4-(5-methyl-1,3-thiazol-2-yl)piperazin-1-yl]methyl]-1,3-thiazole?
The InChIKey is RFLVBFGHIBYJHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4S2/c1-10-7-14-13(19-10)17-5-3-16(4-6-17)8-12-9-18-11(2)15-12/h7,9H,3-6,8H2,1-2H3.
What are the key properties of 2-methyl-4-[[4-(5-methyl-1,3-thiazol-2-yl)piperazin-1-yl]methyl]-1,3-thiazole?
2-methyl-4-[[4-(5-methyl-1,3-thiazol-2-yl)piperazin-1-yl]methyl]-1,3-thiazole has a molecular weight of 294.45 g/mol, XLogP of 2.54, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[[4-(5-methyl-1,3-thiazol-2-yl)piperazin-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 133351975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).