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

C15H22N2S2 — CID 131966091

IUPAC4-[2,5-dimethyl-5-(1,3-thiazol-5-yl)hexan-2-yl]-2-methyl-1,3-thiazole
SMILESCc1nc(C(C)(C)CCC(C)(C)c2cncs2)cs1
InChIInChI=1S/C15H22N2S2/c1-11-17-12(9-18-11)14(2,3)6-7-15(4,5)13-8-16-10-19-13/h8-10H,6-7H2,1-5H3
InChIKeyPTSITLANMUVKSU-UHFFFAOYSA-N
MW294.49 g/mol
LogP4.94
Rot. Bonds5

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

4-[2,5-dimethyl-5-(1,3-thiazol-5-yl)hexan-2-yl]-2-methyl-1,3-thiazole (PubChem CID 131966091) has the molecular formula C15H22N2S2 and a molecular weight of 294.49 g/mol. Its IUPAC name is 4-[2,5-dimethyl-5-(1,3-thiazol-5-yl)hexan-2-yl]-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-[2,5-dimethyl-5-(1,3-thiazol-5-yl)hexan-2-yl]-2-methyl-1,3-thiazole
PubChem CID131966091
Molecular FormulaC15H22N2S2
Molecular Weight294.49 g/mol
Exact Mass294.12
IUPAC Name4-[2,5-dimethyl-5-(1,3-thiazol-5-yl)hexan-2-yl]-2-methyl-1,3-thiazole
SMILESCc1nc(C(C)(C)CCC(C)(C)c2cncs2)cs1
InChIInChI=1S/C15H22N2S2/c1-11-17-12(9-18-11)14(2,3)6-7-15(4,5)13-8-16-10-19-13/h8-10H,6-7H2,1-5H3
InChIKeyPTSITLANMUVKSU-UHFFFAOYSA-N
XLogP4.94
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.49
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[2,5-dimethyl-5-(1,3-thiazol-5-yl)hexan-2-yl]-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

2-methyl-4-(2-methylbutan-2-yl)-1,3-thiazole
CID 130586456
N-methyl-2-(2-methyl-1,3-thiazol-4-yl)propan-2-amine
CID 82598274
2-methyl-4-(2-piperazin-1-ylpropan-2-yl)-1,3-thiazole
CID 116891623
5-(4-methyldecan-4-yl)-1,3-thiazole
CID 167193600
5-(trichloromethyl)-1,3-thiazole
CID 150441308
N-methyl-1-(2-methyl-1,3-thiazol-4-yl)-3-(1,3-thiazol-5-yl)propan-2-amine
CID 112642975
3-methyl-3-[2-(3-methylthiophen-2-yl)-1,3-thiazol-4-yl]butan-1-amine
CID 116888474
2-methyl-4-(2-methyl-1,3-thiazol-4-yl)butan-2-amine
CID 116888513
2-(2-amino-1,3-thiazol-4-yl)-2-methylpropan-1-ol
CID 149444892
4-(2-chloroethenyl)-2-methyl-1,3-thiazole
CID 141028514
4-(2-methylbutan-2-yl)-2-pyridin-4-yl-1,3-thiazole
CID 70810015
5-methyl-N-(1,3-thiazol-5-ylmethyl)-1,3,4-thiadiazol-2-amine
CID 115924966

Frequently Asked Questions

What is the IUPAC name of 4-[2,5-dimethyl-5-(1,3-thiazol-5-yl)hexan-2-yl]-2-methyl-1,3-thiazole?
The IUPAC name of 4-[2,5-dimethyl-5-(1,3-thiazol-5-yl)hexan-2-yl]-2-methyl-1,3-thiazole (CID 131966091) is 4-[2,5-dimethyl-5-(1,3-thiazol-5-yl)hexan-2-yl]-2-methyl-1,3-thiazole.
What is the SMILES notation for 4-[2,5-dimethyl-5-(1,3-thiazol-5-yl)hexan-2-yl]-2-methyl-1,3-thiazole?
The canonical SMILES for 4-[2,5-dimethyl-5-(1,3-thiazol-5-yl)hexan-2-yl]-2-methyl-1,3-thiazole is Cc1nc(C(C)(C)CCC(C)(C)c2cncs2)cs1.
What is the InChIKey of 4-[2,5-dimethyl-5-(1,3-thiazol-5-yl)hexan-2-yl]-2-methyl-1,3-thiazole?
The InChIKey is PTSITLANMUVKSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2S2/c1-11-17-12(9-18-11)14(2,3)6-7-15(4,5)13-8-16-10-19-13/h8-10H,6-7H2,1-5H3.
What are the key properties of 4-[2,5-dimethyl-5-(1,3-thiazol-5-yl)hexan-2-yl]-2-methyl-1,3-thiazole?
4-[2,5-dimethyl-5-(1,3-thiazol-5-yl)hexan-2-yl]-2-methyl-1,3-thiazole has a molecular weight of 294.49 g/mol, XLogP of 4.94, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,5-dimethyl-5-(1,3-thiazol-5-yl)hexan-2-yl]-2-methyl-1,3-thiazole is sourced from PubChem (CID 131966091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).