2,4-dimethyl-5-propan-2-yl-1,3-thiazole;1,3,5-trimethyl-4-propan-2-ylpyrazole

C17H29N3S — CID 159083959

IUPAC2,4-dimethyl-5-propan-2-yl-1,3-thiazole;1,3,5-trimethyl-4-propan-2-ylpyrazole
SMILESCc1nc(C)c(C(C)C)s1.Cc1nn(C)c(C)c1C(C)C
InChIInChI=1S/C9H16N2.C8H13NS/c1-6(2)9-7(3)10-11(5)8(9)4;1-5(2)8-6(3)9-7(4)10-8/h6H,1-5H3;5H,1-4H3
InChIKeyKBEZXKXZDMQMSD-UHFFFAOYSA-N
MW307.51 g/mol
LogP5.04
Rot. Bonds2

About 2,4-dimethyl-5-propan-2-yl-1,3-thiazole;1,3,5-trimethyl-4-propan-2-ylpyrazole

2,4-dimethyl-5-propan-2-yl-1,3-thiazole;1,3,5-trimethyl-4-propan-2-ylpyrazole (PubChem CID 159083959) has the molecular formula C17H29N3S and a molecular weight of 307.51 g/mol. Its IUPAC name is 2,4-dimethyl-5-propan-2-yl-1,3-thiazole;1,3,5-trimethyl-4-propan-2-ylpyrazole.

Molecular Properties

Compound Name2,4-dimethyl-5-propan-2-yl-1,3-thiazole;1,3,5-trimethyl-4-propan-2-ylpyrazole
PubChem CID159083959
Molecular FormulaC17H29N3S
Molecular Weight307.51 g/mol
Exact Mass307.21
IUPAC Name2,4-dimethyl-5-propan-2-yl-1,3-thiazole;1,3,5-trimethyl-4-propan-2-ylpyrazole
SMILESCc1nc(C)c(C(C)C)s1.Cc1nn(C)c(C)c1C(C)C
InChIInChI=1S/C9H16N2.C8H13NS/c1-6(2)9-7(3)10-11(5)8(9)4;1-5(2)8-6(3)9-7(4)10-8/h6H,1-5H3;5H,1-4H3
InChIKeyKBEZXKXZDMQMSD-UHFFFAOYSA-N
XLogP5.04
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.51
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2,4-dimethyl-5-propan-2-yl-1,3-thiazole;1,3,5-trimethyl-4-propan-2-ylpyrazole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-5-propan-2-yl-1,3-thiazole;1,3,5-trimethyl-4-propan-2-ylpyrazole?
The IUPAC name of 2,4-dimethyl-5-propan-2-yl-1,3-thiazole;1,3,5-trimethyl-4-propan-2-ylpyrazole (CID 159083959) is 2,4-dimethyl-5-propan-2-yl-1,3-thiazole;1,3,5-trimethyl-4-propan-2-ylpyrazole.
What is the SMILES notation for 2,4-dimethyl-5-propan-2-yl-1,3-thiazole;1,3,5-trimethyl-4-propan-2-ylpyrazole?
The canonical SMILES for 2,4-dimethyl-5-propan-2-yl-1,3-thiazole;1,3,5-trimethyl-4-propan-2-ylpyrazole is Cc1nc(C)c(C(C)C)s1.Cc1nn(C)c(C)c1C(C)C.
What is the InChIKey of 2,4-dimethyl-5-propan-2-yl-1,3-thiazole;1,3,5-trimethyl-4-propan-2-ylpyrazole?
The InChIKey is KBEZXKXZDMQMSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2.C8H13NS/c1-6(2)9-7(3)10-11(5)8(9)4;1-5(2)8-6(3)9-7(4)10-8/h6H,1-5H3;5H,1-4H3.
What are the key properties of 2,4-dimethyl-5-propan-2-yl-1,3-thiazole;1,3,5-trimethyl-4-propan-2-ylpyrazole?
2,4-dimethyl-5-propan-2-yl-1,3-thiazole;1,3,5-trimethyl-4-propan-2-ylpyrazole has a molecular weight of 307.51 g/mol, XLogP of 5.04, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-5-propan-2-yl-1,3-thiazole;1,3,5-trimethyl-4-propan-2-ylpyrazole is sourced from PubChem (CID 159083959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).