5-[[(2S,6R)-2,6-dimethyl-4-[(2-methyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]methyl]-2-methyl-1,3-thiazole

C16H24N4S2 — CID 99786844

IUPAC5-[[(2S,6R)-2,6-dimethyl-4-[(2-methyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]methyl]-2-methyl-1,3-thiazole
SMILESCc1ncc(CN2C[C@@H](C)N(Cc3cnc(C)s3)[C@@H](C)C2)s1
InChIInChI=1S/C16H24N4S2/c1-11-7-19(9-15-5-17-13(3)21-15)8-12(2)20(11)10-16-6-18-14(4)22-16/h5-6,11-12H,7-10H2,1-4H3/t11-,12+
InChIKeyUPTSXVGBBYVQQQ-TXEJJXNPSA-N
MW336.53 g/mol
LogP3.31
Rot. Bonds4

About 5-[[(2S,6R)-2,6-dimethyl-4-[(2-methyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]methyl]-2-methyl-1,3-thiazole

5-[[(2S,6R)-2,6-dimethyl-4-[(2-methyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]methyl]-2-methyl-1,3-thiazole (PubChem CID 99786844) has the molecular formula C16H24N4S2 and a molecular weight of 336.53 g/mol. Its IUPAC name is 5-[[(2S,6R)-2,6-dimethyl-4-[(2-methyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]methyl]-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name5-[[(2S,6R)-2,6-dimethyl-4-[(2-methyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]methyl]-2-methyl-1,3-thiazole
PubChem CID99786844
Molecular FormulaC16H24N4S2
Molecular Weight336.53 g/mol
Exact Mass336.14
IUPAC Name5-[[(2S,6R)-2,6-dimethyl-4-[(2-methyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]methyl]-2-methyl-1,3-thiazole
SMILESCc1ncc(CN2C[C@@H](C)N(Cc3cnc(C)s3)[C@@H](C)C2)s1
InChIInChI=1S/C16H24N4S2/c1-11-7-19(9-15-5-17-13(3)21-15)8-12(2)20(11)10-16-6-18-14(4)22-16/h5-6,11-12H,7-10H2,1-4H3/t11-,12+
InChIKeyUPTSXVGBBYVQQQ-TXEJJXNPSA-N
XLogP3.31
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.53
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[[(2S,6R)-2,6-dimethyl-4-[(2-methyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]methyl]-2-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

5,5'-Dimethyl-[2,2'-bi-thiazole]
CID 59297180
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-N-propan-2-ylpropan-2-amine
CID 75517933
(2S)-2-N-ethyl-1-N,1-N-dimethyl-2-N-(1,3-thiazol-5-ylmethyl)propane-1,2-diamine
CID 100694202
5-[(3-Butan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)methyl]-2-(2,2,2-trifluoroethyl)-1,3-thiazole
CID 137444380
5-[(4-Methylpiperazin-1-yl)methyl]-2-propan-2-yl-1,3-thiazole
CID 18738455
5-[(4-Methylpiperazin-1-yl)methyl]-1,3-thiazole
CID 18738462
2-Methyl-5-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazole
CID 20682942
2-Methyl-5-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazole
CID 23311726
2-Methyl-5-(pyrrolidinomethyl)thiazole
CID 23506351
2-Methyl-5-[(4-propan-2-ylpiperazin-1-yl)methyl]-1,3-thiazole
CID 57704923
5-[[3,5-Bis[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3,5-triazinan-1-yl]methyl]-2-methyl-1,3-thiazole
CID 59815005
1-(2-methyl-1,3-thiazol-5-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine
CID 59815006

Frequently Asked Questions

What is the IUPAC name of 5-[[(2S,6R)-2,6-dimethyl-4-[(2-methyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]methyl]-2-methyl-1,3-thiazole?
The IUPAC name of 5-[[(2S,6R)-2,6-dimethyl-4-[(2-methyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]methyl]-2-methyl-1,3-thiazole (CID 99786844) is 5-[[(2S,6R)-2,6-dimethyl-4-[(2-methyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]methyl]-2-methyl-1,3-thiazole.
What is the SMILES notation for 5-[[(2S,6R)-2,6-dimethyl-4-[(2-methyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]methyl]-2-methyl-1,3-thiazole?
The canonical SMILES for 5-[[(2S,6R)-2,6-dimethyl-4-[(2-methyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]methyl]-2-methyl-1,3-thiazole is Cc1ncc(CN2C[C@@H](C)N(Cc3cnc(C)s3)[C@@H](C)C2)s1.
What is the InChIKey of 5-[[(2S,6R)-2,6-dimethyl-4-[(2-methyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]methyl]-2-methyl-1,3-thiazole?
The InChIKey is UPTSXVGBBYVQQQ-TXEJJXNPSA-N. The full InChI is InChI=1S/C16H24N4S2/c1-11-7-19(9-15-5-17-13(3)21-15)8-12(2)20(11)10-16-6-18-14(4)22-16/h5-6,11-12H,7-10H2,1-4H3/t11-,12+.
What are the key properties of 5-[[(2S,6R)-2,6-dimethyl-4-[(2-methyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]methyl]-2-methyl-1,3-thiazole?
5-[[(2S,6R)-2,6-dimethyl-4-[(2-methyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]methyl]-2-methyl-1,3-thiazole has a molecular weight of 336.53 g/mol, XLogP of 3.31, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2S,6R)-2,6-dimethyl-4-[(2-methyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]methyl]-2-methyl-1,3-thiazole is sourced from PubChem (CID 99786844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).