2-[4-(1H-imidazol-5-yl)-4-methylpentan-2-yl]-5-(4-propan-2-yl-1H-pyrazol-5-yl)-1,3-thiazole

C18H25N5S — CID 135197068

IUPAC2-[4-(1H-imidazol-5-yl)-4-methylpentan-2-yl]-5-(4-propan-2-yl-1H-pyrazol-5-yl)-1,3-thiazole
SMILESCC(C)c1cn[nH]c1-c1cnc(C(C)CC(C)(C)c2cnc[nH]2)s1
InChIInChI=1S/C18H25N5S/c1-11(2)13-7-22-23-16(13)14-8-20-17(24-14)12(3)6-18(4,5)15-9-19-10-21-15/h7-12H,6H2,1-5H3,(H,19,21)(H,22,23)
InChIKeyIJASCUYFWIPLKL-UHFFFAOYSA-N
MW343.50 g/mol
LogP4.85
Rot. Bonds6

About 2-[4-(1H-imidazol-5-yl)-4-methylpentan-2-yl]-5-(4-propan-2-yl-1H-pyrazol-5-yl)-1,3-thiazole

2-[4-(1H-imidazol-5-yl)-4-methylpentan-2-yl]-5-(4-propan-2-yl-1H-pyrazol-5-yl)-1,3-thiazole (PubChem CID 135197068) has the molecular formula C18H25N5S and a molecular weight of 343.50 g/mol. Its IUPAC name is 2-[4-(1H-imidazol-5-yl)-4-methylpentan-2-yl]-5-(4-propan-2-yl-1H-pyrazol-5-yl)-1,3-thiazole.

Molecular Properties

Compound Name2-[4-(1H-imidazol-5-yl)-4-methylpentan-2-yl]-5-(4-propan-2-yl-1H-pyrazol-5-yl)-1,3-thiazole
PubChem CID135197068
Molecular FormulaC18H25N5S
Molecular Weight343.50 g/mol
Exact Mass343.18
IUPAC Name2-[4-(1H-imidazol-5-yl)-4-methylpentan-2-yl]-5-(4-propan-2-yl-1H-pyrazol-5-yl)-1,3-thiazole
SMILESCC(C)c1cn[nH]c1-c1cnc(C(C)CC(C)(C)c2cnc[nH]2)s1
InChIInChI=1S/C18H25N5S/c1-11(2)13-7-22-23-16(13)14-8-20-17(24-14)12(3)6-18(4,5)15-9-19-10-21-15/h7-12H,6H2,1-5H3,(H,19,21)(H,22,23)
InChIKeyIJASCUYFWIPLKL-UHFFFAOYSA-N
XLogP4.85
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.50
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1H-imidazol-5-yl)-4-methylpentan-2-yl]-5-(4-propan-2-yl-1H-pyrazol-5-yl)-1,3-thiazole?
The IUPAC name of 2-[4-(1H-imidazol-5-yl)-4-methylpentan-2-yl]-5-(4-propan-2-yl-1H-pyrazol-5-yl)-1,3-thiazole (CID 135197068) is 2-[4-(1H-imidazol-5-yl)-4-methylpentan-2-yl]-5-(4-propan-2-yl-1H-pyrazol-5-yl)-1,3-thiazole.
What is the SMILES notation for 2-[4-(1H-imidazol-5-yl)-4-methylpentan-2-yl]-5-(4-propan-2-yl-1H-pyrazol-5-yl)-1,3-thiazole?
The canonical SMILES for 2-[4-(1H-imidazol-5-yl)-4-methylpentan-2-yl]-5-(4-propan-2-yl-1H-pyrazol-5-yl)-1,3-thiazole is CC(C)c1cn[nH]c1-c1cnc(C(C)CC(C)(C)c2cnc[nH]2)s1.
What is the InChIKey of 2-[4-(1H-imidazol-5-yl)-4-methylpentan-2-yl]-5-(4-propan-2-yl-1H-pyrazol-5-yl)-1,3-thiazole?
The InChIKey is IJASCUYFWIPLKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5S/c1-11(2)13-7-22-23-16(13)14-8-20-17(24-14)12(3)6-18(4,5)15-9-19-10-21-15/h7-12H,6H2,1-5H3,(H,19,21)(H,22,23).
What are the key properties of 2-[4-(1H-imidazol-5-yl)-4-methylpentan-2-yl]-5-(4-propan-2-yl-1H-pyrazol-5-yl)-1,3-thiazole?
2-[4-(1H-imidazol-5-yl)-4-methylpentan-2-yl]-5-(4-propan-2-yl-1H-pyrazol-5-yl)-1,3-thiazole has a molecular weight of 343.50 g/mol, XLogP of 4.85, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1H-imidazol-5-yl)-4-methylpentan-2-yl]-5-(4-propan-2-yl-1H-pyrazol-5-yl)-1,3-thiazole is sourced from PubChem (CID 135197068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).