N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide

C13H12N4O2S — CID 155919097

IUPACN-[5-(furan-2-yl)-1H-pyrazol-3-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)Nc2cc(-c3ccco3)[nH]n2)s1
InChIInChI=1S/C13H12N4O2S/c1-7-12(20-8(2)14-7)13(18)15-11-6-9(16-17-11)10-4-3-5-19-10/h3-6H,1-2H3,(H2,15,16,17,18)
InChIKeyMUASNAMVQNKJAK-UHFFFAOYSA-N
MW288.33 g/mol
LogP3.00
Rot. Bonds3

About N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide

N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide (PubChem CID 155919097) has the molecular formula C13H12N4O2S and a molecular weight of 288.33 g/mol. Its IUPAC name is N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[5-(furan-2-yl)-1H-pyrazol-3-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
PubChem CID155919097
Molecular FormulaC13H12N4O2S
Molecular Weight288.33 g/mol
Exact Mass288.07
IUPAC NameN-[5-(furan-2-yl)-1H-pyrazol-3-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)Nc2cc(-c3ccco3)[nH]n2)s1
InChIInChI=1S/C13H12N4O2S/c1-7-12(20-8(2)14-7)13(18)15-11-6-9(16-17-11)10-4-3-5-19-10/h3-6H,1-2H3,(H2,15,16,17,18)
InChIKeyMUASNAMVQNKJAK-UHFFFAOYSA-N
XLogP3.00
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide (CID 155919097) is N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide is Cc1nc(C)c(C(=O)Nc2cc(-c3ccco3)[nH]n2)s1.
What is the InChIKey of N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The InChIKey is MUASNAMVQNKJAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O2S/c1-7-12(20-8(2)14-7)13(18)15-11-6-9(16-17-11)10-4-3-5-19-10/h3-6H,1-2H3,(H2,15,16,17,18).
What are the key properties of N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide?
N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide has a molecular weight of 288.33 g/mol, XLogP of 3.00, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 155919097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).