4-[(1S)-1-[2-(5-tert-butyl-1H-pyrazol-3-yl)imidazol-1-yl]ethyl]-2-methyl-1,3-thiazole

C16H21N5S — CID 95555738

IUPAC4-[(1S)-1-[2-(5-tert-butyl-1H-pyrazol-3-yl)imidazol-1-yl]ethyl]-2-methyl-1,3-thiazole
SMILESCc1nc([C@H](C)n2ccnc2-c2cc(C(C)(C)C)[nH]n2)cs1
InChIInChI=1S/C16H21N5S/c1-10(13-9-22-11(2)18-13)21-7-6-17-15(21)12-8-14(20-19-12)16(3,4)5/h6-10H,1-5H3,(H,19,20)/t10-/m0/s1
InChIKeyZDVVPACCYFKXPV-JTQLQIEISA-N
MW315.45 g/mol
LogP3.94
Rot. Bonds3

About 4-[(1S)-1-[2-(5-tert-butyl-1H-pyrazol-3-yl)imidazol-1-yl]ethyl]-2-methyl-1,3-thiazole

4-[(1S)-1-[2-(5-tert-butyl-1H-pyrazol-3-yl)imidazol-1-yl]ethyl]-2-methyl-1,3-thiazole (PubChem CID 95555738) has the molecular formula C16H21N5S and a molecular weight of 315.45 g/mol. Its IUPAC name is 4-[(1S)-1-[2-(5-tert-butyl-1H-pyrazol-3-yl)imidazol-1-yl]ethyl]-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-[(1S)-1-[2-(5-tert-butyl-1H-pyrazol-3-yl)imidazol-1-yl]ethyl]-2-methyl-1,3-thiazole
PubChem CID95555738
Molecular FormulaC16H21N5S
Molecular Weight315.45 g/mol
Exact Mass315.15
IUPAC Name4-[(1S)-1-[2-(5-tert-butyl-1H-pyrazol-3-yl)imidazol-1-yl]ethyl]-2-methyl-1,3-thiazole
SMILESCc1nc([C@H](C)n2ccnc2-c2cc(C(C)(C)C)[nH]n2)cs1
InChIInChI=1S/C16H21N5S/c1-10(13-9-22-11(2)18-13)21-7-6-17-15(21)12-8-14(20-19-12)16(3,4)5/h6-10H,1-5H3,(H,19,20)/t10-/m0/s1
InChIKeyZDVVPACCYFKXPV-JTQLQIEISA-N
XLogP3.94
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.45
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(1S)-1-[2-(5-tert-butyl-1H-pyrazol-3-yl)imidazol-1-yl]ethyl]-2-methyl-1,3-thiazole?
The IUPAC name of 4-[(1S)-1-[2-(5-tert-butyl-1H-pyrazol-3-yl)imidazol-1-yl]ethyl]-2-methyl-1,3-thiazole (CID 95555738) is 4-[(1S)-1-[2-(5-tert-butyl-1H-pyrazol-3-yl)imidazol-1-yl]ethyl]-2-methyl-1,3-thiazole.
What is the SMILES notation for 4-[(1S)-1-[2-(5-tert-butyl-1H-pyrazol-3-yl)imidazol-1-yl]ethyl]-2-methyl-1,3-thiazole?
The canonical SMILES for 4-[(1S)-1-[2-(5-tert-butyl-1H-pyrazol-3-yl)imidazol-1-yl]ethyl]-2-methyl-1,3-thiazole is Cc1nc([C@H](C)n2ccnc2-c2cc(C(C)(C)C)[nH]n2)cs1.
What is the InChIKey of 4-[(1S)-1-[2-(5-tert-butyl-1H-pyrazol-3-yl)imidazol-1-yl]ethyl]-2-methyl-1,3-thiazole?
The InChIKey is ZDVVPACCYFKXPV-JTQLQIEISA-N. The full InChI is InChI=1S/C16H21N5S/c1-10(13-9-22-11(2)18-13)21-7-6-17-15(21)12-8-14(20-19-12)16(3,4)5/h6-10H,1-5H3,(H,19,20)/t10-/m0/s1.
What are the key properties of 4-[(1S)-1-[2-(5-tert-butyl-1H-pyrazol-3-yl)imidazol-1-yl]ethyl]-2-methyl-1,3-thiazole?
4-[(1S)-1-[2-(5-tert-butyl-1H-pyrazol-3-yl)imidazol-1-yl]ethyl]-2-methyl-1,3-thiazole has a molecular weight of 315.45 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S)-1-[2-(5-tert-butyl-1H-pyrazol-3-yl)imidazol-1-yl]ethyl]-2-methyl-1,3-thiazole is sourced from PubChem (CID 95555738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).