2-tert-butyl-N-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]-1,3-thiazole-5-carboxamide

C17H20N4O2S — CID 71885828

IUPAC2-tert-butyl-N-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]-1,3-thiazole-5-carboxamide
SMILESCc1ccc(Cn2nccc2NC(=O)c2cnc(C(C)(C)C)s2)o1
InChIInChI=1S/C17H20N4O2S/c1-11-5-6-12(23-11)10-21-14(7-8-19-21)20-15(22)13-9-18-16(24-13)17(2,3)4/h5-9H,10H2,1-4H3,(H,20,22)
InChIKeyXJOMIEWZJZEDIH-UHFFFAOYSA-N
MW344.44 g/mol
LogP3.84
Rot. Bonds4

About 2-tert-butyl-N-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]-1,3-thiazole-5-carboxamide

2-tert-butyl-N-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]-1,3-thiazole-5-carboxamide (PubChem CID 71885828) has the molecular formula C17H20N4O2S and a molecular weight of 344.44 g/mol. Its IUPAC name is 2-tert-butyl-N-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-tert-butyl-N-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]-1,3-thiazole-5-carboxamide
PubChem CID71885828
Molecular FormulaC17H20N4O2S
Molecular Weight344.44 g/mol
Exact Mass344.13
IUPAC Name2-tert-butyl-N-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]-1,3-thiazole-5-carboxamide
SMILESCc1ccc(Cn2nccc2NC(=O)c2cnc(C(C)(C)C)s2)o1
InChIInChI=1S/C17H20N4O2S/c1-11-5-6-12(23-11)10-21-14(7-8-19-21)20-15(22)13-9-18-16(24-13)17(2,3)4/h5-9H,10H2,1-4H3,(H,20,22)
InChIKeyXJOMIEWZJZEDIH-UHFFFAOYSA-N
XLogP3.84
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-tert-butyl-N-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]-1,3-thiazole-5-carboxamide (CID 71885828) is 2-tert-butyl-N-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-tert-butyl-N-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-tert-butyl-N-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]-1,3-thiazole-5-carboxamide is Cc1ccc(Cn2nccc2NC(=O)c2cnc(C(C)(C)C)s2)o1.
What is the InChIKey of 2-tert-butyl-N-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]-1,3-thiazole-5-carboxamide?
The InChIKey is XJOMIEWZJZEDIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2S/c1-11-5-6-12(23-11)10-21-14(7-8-19-21)20-15(22)13-9-18-16(24-13)17(2,3)4/h5-9H,10H2,1-4H3,(H,20,22).
What are the key properties of 2-tert-butyl-N-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]-1,3-thiazole-5-carboxamide?
2-tert-butyl-N-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]-1,3-thiazole-5-carboxamide has a molecular weight of 344.44 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 71885828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).