4-[[(3R)-3-methylpiperazin-1-yl]methyl]-2-thiophen-3-yl-1,3-thiazole

C13H17N3S2 — CID 113345871

IUPAC4-[[(3R)-3-methylpiperazin-1-yl]methyl]-2-thiophen-3-yl-1,3-thiazole
SMILESC[C@@H]1CN(Cc2csc(-c3ccsc3)n2)CCN1
InChIInChI=1S/C13H17N3S2/c1-10-6-16(4-3-14-10)7-12-9-18-13(15-12)11-2-5-17-8-11/h2,5,8-10,14H,3-4,6-7H2,1H3/t10-/m1/s1
InChIKeySTCSSXQCJYZPAX-SNVBAGLBSA-N
MW279.43 g/mol
LogP2.67
Rot. Bonds3

About 4-[[(3R)-3-methylpiperazin-1-yl]methyl]-2-thiophen-3-yl-1,3-thiazole

4-[[(3R)-3-methylpiperazin-1-yl]methyl]-2-thiophen-3-yl-1,3-thiazole (PubChem CID 113345871) has the molecular formula C13H17N3S2 and a molecular weight of 279.43 g/mol. Its IUPAC name is 4-[[(3R)-3-methylpiperazin-1-yl]methyl]-2-thiophen-3-yl-1,3-thiazole.

Molecular Properties

Compound Name4-[[(3R)-3-methylpiperazin-1-yl]methyl]-2-thiophen-3-yl-1,3-thiazole
PubChem CID113345871
Molecular FormulaC13H17N3S2
Molecular Weight279.43 g/mol
Exact Mass279.09
IUPAC Name4-[[(3R)-3-methylpiperazin-1-yl]methyl]-2-thiophen-3-yl-1,3-thiazole
SMILESC[C@@H]1CN(Cc2csc(-c3ccsc3)n2)CCN1
InChIInChI=1S/C13H17N3S2/c1-10-6-16(4-3-14-10)7-12-9-18-13(15-12)11-2-5-17-8-11/h2,5,8-10,14H,3-4,6-7H2,1H3/t10-/m1/s1
InChIKeySTCSSXQCJYZPAX-SNVBAGLBSA-N
XLogP2.67
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(3,5-dimethylpiperazin-1-yl)methyl]-2-thiophen-3-yl-1,3-thiazole
CID 63873907
4-[[(3S)-3-methylpiperazin-1-yl]methyl]-2-phenyl-1,3-thiazole
CID 103885656
2-methyl-4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]morpholine
CID 134055306
5-[[(3R)-3-methylpiperazin-1-yl]methyl]-3-thiophen-3-yl-1,2,4-oxadiazole
CID 104975556
1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-ol
CID 55130969
4-[(3-piperazin-1-ylazetidin-1-yl)methyl]-2-thiophen-3-yl-1,3-thiazole
CID 66197338
2-thiophen-3-yl-4-[[4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl]methyl]-1,3-thiazole
CID 31313736
4-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-ylmethyl)-2-thiophen-3-yl-1,3-thiazole
CID 60916712
3-methyl-1-[(5-thiophen-3-yl-1H-pyrazol-4-yl)methyl]piperazine
CID 120840166
1-[1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]imidazolidin-2-one
CID 56821531
1-[(3S)-1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]imidazolidin-2-one
CID 95590509
3-methyl-1-[(5-thiophen-3-yl-1H-pyrazol-4-yl)methyl]piperazine;hydrochloride
CID 120840165

Frequently Asked Questions

What is the IUPAC name of 4-[[(3R)-3-methylpiperazin-1-yl]methyl]-2-thiophen-3-yl-1,3-thiazole?
The IUPAC name of 4-[[(3R)-3-methylpiperazin-1-yl]methyl]-2-thiophen-3-yl-1,3-thiazole (CID 113345871) is 4-[[(3R)-3-methylpiperazin-1-yl]methyl]-2-thiophen-3-yl-1,3-thiazole.
What is the SMILES notation for 4-[[(3R)-3-methylpiperazin-1-yl]methyl]-2-thiophen-3-yl-1,3-thiazole?
The canonical SMILES for 4-[[(3R)-3-methylpiperazin-1-yl]methyl]-2-thiophen-3-yl-1,3-thiazole is C[C@@H]1CN(Cc2csc(-c3ccsc3)n2)CCN1.
What is the InChIKey of 4-[[(3R)-3-methylpiperazin-1-yl]methyl]-2-thiophen-3-yl-1,3-thiazole?
The InChIKey is STCSSXQCJYZPAX-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H17N3S2/c1-10-6-16(4-3-14-10)7-12-9-18-13(15-12)11-2-5-17-8-11/h2,5,8-10,14H,3-4,6-7H2,1H3/t10-/m1/s1.
What are the key properties of 4-[[(3R)-3-methylpiperazin-1-yl]methyl]-2-thiophen-3-yl-1,3-thiazole?
4-[[(3R)-3-methylpiperazin-1-yl]methyl]-2-thiophen-3-yl-1,3-thiazole has a molecular weight of 279.43 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3R)-3-methylpiperazin-1-yl]methyl]-2-thiophen-3-yl-1,3-thiazole is sourced from PubChem (CID 113345871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).