2-[[(2S,6S)-2,6-dimethyl-4-(1,3-thiazol-2-ylmethyl)piperazin-1-yl]methyl]-1,3-thiazole

C14H20N4S2 — CID 99832802

IUPAC2-[[(2S,6S)-2,6-dimethyl-4-(1,3-thiazol-2-ylmethyl)piperazin-1-yl]methyl]-1,3-thiazole
SMILESC[C@H]1CN(Cc2nccs2)C[C@H](C)N1Cc1nccs1
InChIInChI=1S/C14H20N4S2/c1-11-7-17(9-13-15-3-5-19-13)8-12(2)18(11)10-14-16-4-6-20-14/h3-6,11-12H,7-10H2,1-2H3/t11-,12-/m0/s1
InChIKeyBBIHGFNTLMKCRR-RYUDHWBXSA-N
MW308.48 g/mol
LogP2.69
Rot. Bonds4

About 2-[[(2S,6S)-2,6-dimethyl-4-(1,3-thiazol-2-ylmethyl)piperazin-1-yl]methyl]-1,3-thiazole

2-[[(2S,6S)-2,6-dimethyl-4-(1,3-thiazol-2-ylmethyl)piperazin-1-yl]methyl]-1,3-thiazole (PubChem CID 99832802) has the molecular formula C14H20N4S2 and a molecular weight of 308.48 g/mol. Its IUPAC name is 2-[[(2S,6S)-2,6-dimethyl-4-(1,3-thiazol-2-ylmethyl)piperazin-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[[(2S,6S)-2,6-dimethyl-4-(1,3-thiazol-2-ylmethyl)piperazin-1-yl]methyl]-1,3-thiazole
PubChem CID99832802
Molecular FormulaC14H20N4S2
Molecular Weight308.48 g/mol
Exact Mass308.11
IUPAC Name2-[[(2S,6S)-2,6-dimethyl-4-(1,3-thiazol-2-ylmethyl)piperazin-1-yl]methyl]-1,3-thiazole
SMILESC[C@H]1CN(Cc2nccs2)C[C@H](C)N1Cc1nccs1
InChIInChI=1S/C14H20N4S2/c1-11-7-17(9-13-15-3-5-19-13)8-12(2)18(11)10-14-16-4-6-20-14/h3-6,11-12H,7-10H2,1-2H3/t11-,12-/m0/s1
InChIKeyBBIHGFNTLMKCRR-RYUDHWBXSA-N
XLogP2.69
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.48
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[[(2S,6S)-2,6-dimethyl-4-(1,3-thiazol-2-ylmethyl)piperazin-1-yl]methyl]-1,3-thiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-methyl-1-(1,3-thiazol-2-ylmethyl)piperidin-3-ol
CID 130802820
(3S,5R)-5-methyl-1-(1,3-thiazol-2-ylmethyl)piperidin-3-ol
CID 130802814
(2R,3aS,6aS)-2-methyl-5-(1,3-thiazol-2-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole
CID 97369160
4-[2-chloro-6-[[3,5-dimethyl-4-(1,3-thiazol-2-ylmethyl)piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 76543090
[6-methyl-1-(1,3-thiazol-2-ylmethyl)piperidin-2-yl]methanol
CID 110016925
2-[[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]methyl]-1,3-thiazole
CID 91831848
N,N-dimethyl-1-(1,3-thiazol-2-ylmethyl)piperidin-4-amine
CID 141061386
(3aR,6aS)-5-phenyl-2-(1,3-thiazol-2-ylmethyl)-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one
CID 124520088
4-(1,3-thiazol-2-ylmethyl)morpholine-2,6-dione
CID 63789062
2-[[(3R)-3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole
CID 42194400
N-propan-2-yl-1-(1,3-thiazol-2-ylmethyl)piperidin-4-amine
CID 115752802
3,3-dimethyl-1-(1,3-thiazol-2-ylmethyl)piperidin-4-amine
CID 120781587

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S,6S)-2,6-dimethyl-4-(1,3-thiazol-2-ylmethyl)piperazin-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 2-[[(2S,6S)-2,6-dimethyl-4-(1,3-thiazol-2-ylmethyl)piperazin-1-yl]methyl]-1,3-thiazole (CID 99832802) is 2-[[(2S,6S)-2,6-dimethyl-4-(1,3-thiazol-2-ylmethyl)piperazin-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 2-[[(2S,6S)-2,6-dimethyl-4-(1,3-thiazol-2-ylmethyl)piperazin-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 2-[[(2S,6S)-2,6-dimethyl-4-(1,3-thiazol-2-ylmethyl)piperazin-1-yl]methyl]-1,3-thiazole is C[C@H]1CN(Cc2nccs2)C[C@H](C)N1Cc1nccs1.
What is the InChIKey of 2-[[(2S,6S)-2,6-dimethyl-4-(1,3-thiazol-2-ylmethyl)piperazin-1-yl]methyl]-1,3-thiazole?
The InChIKey is BBIHGFNTLMKCRR-RYUDHWBXSA-N. The full InChI is InChI=1S/C14H20N4S2/c1-11-7-17(9-13-15-3-5-19-13)8-12(2)18(11)10-14-16-4-6-20-14/h3-6,11-12H,7-10H2,1-2H3/t11-,12-/m0/s1.
What are the key properties of 2-[[(2S,6S)-2,6-dimethyl-4-(1,3-thiazol-2-ylmethyl)piperazin-1-yl]methyl]-1,3-thiazole?
2-[[(2S,6S)-2,6-dimethyl-4-(1,3-thiazol-2-ylmethyl)piperazin-1-yl]methyl]-1,3-thiazole has a molecular weight of 308.48 g/mol, XLogP of 2.69, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S,6S)-2,6-dimethyl-4-(1,3-thiazol-2-ylmethyl)piperazin-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 99832802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).