N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide

C17H20N4O2S — CID 47030018

IUPACN-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide
SMILESCc1ccc(-c2nc(C)c(C(=O)NC(C)c3cnn(C)c3C)s2)o1
InChIInChI=1S/C17H20N4O2S/c1-9-6-7-14(23-9)17-20-11(3)15(24-17)16(22)19-10(2)13-8-18-21(5)12(13)4/h6-8,10H,1-5H3,(H,19,22)
InChIKeyFEKRGYKKJDFIDJ-UHFFFAOYSA-N
MW344.44 g/mol
LogP3.55
Rot. Bonds4

About N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide

N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide (PubChem CID 47030018) has the molecular formula C17H20N4O2S and a molecular weight of 344.44 g/mol. Its IUPAC name is N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide
PubChem CID47030018
Molecular FormulaC17H20N4O2S
Molecular Weight344.44 g/mol
Exact Mass344.13
IUPAC NameN-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide
SMILESCc1ccc(-c2nc(C)c(C(=O)NC(C)c3cnn(C)c3C)s2)o1
InChIInChI=1S/C17H20N4O2S/c1-9-6-7-14(23-9)17-20-11(3)15(24-17)16(22)19-10(2)13-8-18-21(5)12(13)4/h6-8,10H,1-5H3,(H,19,22)
InChIKeyFEKRGYKKJDFIDJ-UHFFFAOYSA-N
XLogP3.55
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 ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-(methanesulfonamido)-4-methyl-1,3-thiazole-5-carboxamide
CID 92627095
4-methyl-2-(5-methylfuran-2-yl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide
CID 38432031
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-4,5-dimethylthiophene-2-carboxamide
CID 47027951
N-(2-amino-1-cyclopropylethyl)-4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide
CID 119616356
2-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]benzamide
CID 61214245
methyl 5-[1-(1,5-dimethylpyrazol-4-yl)ethylcarbamoyl]thiophene-2-carboxylate
CID 47027987
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-methylfuran-3-carboxamide
CID 43073935
N-(3-aminopropyl)-4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide
CID 119407804
2,2-dimethyl-3-[[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carbonyl]amino]propanoic acid
CID 119249348
4-methyl-2-(5-methylfuran-2-yl)-N-[(1R)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 38585765
4-methyl-2-(5-methylfuran-2-yl)-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide
CID 39886558
2-[2-[[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carbonyl]amino]ethylsulfanyl]acetic acid
CID 119241601

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide (CID 47030018) is N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide is Cc1ccc(-c2nc(C)c(C(=O)NC(C)c3cnn(C)c3C)s2)o1.
What is the InChIKey of N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide?
The InChIKey is FEKRGYKKJDFIDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2S/c1-9-6-7-14(23-9)17-20-11(3)15(24-17)16(22)19-10(2)13-8-18-21(5)12(13)4/h6-8,10H,1-5H3,(H,19,22).
What are the key properties of N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide?
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide has a molecular weight of 344.44 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 47030018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).