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

C14H20N4OS — CID 50973597

IUPACN-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-2-methyl-1,3-thiazole-4-carboxamide
SMILESCCc1c(C)nn(CCNC(=O)c2csc(C)n2)c1C
InChIInChI=1S/C14H20N4OS/c1-5-12-9(2)17-18(10(12)3)7-6-15-14(19)13-8-20-11(4)16-13/h8H,5-7H2,1-4H3,(H,15,19)
InChIKeyLRPXIFORFXRVDH-UHFFFAOYSA-N
MW292.41 g/mol
LogP2.26
Rot. Bonds5

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

N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-2-methyl-1,3-thiazole-4-carboxamide (PubChem CID 50973597) has the molecular formula C14H20N4OS and a molecular weight of 292.41 g/mol. Its IUPAC name is N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-2-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-2-methyl-1,3-thiazole-4-carboxamide
PubChem CID50973597
Molecular FormulaC14H20N4OS
Molecular Weight292.41 g/mol
Exact Mass292.14
IUPAC NameN-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-2-methyl-1,3-thiazole-4-carboxamide
SMILESCCc1c(C)nn(CCNC(=O)c2csc(C)n2)c1C
InChIInChI=1S/C14H20N4OS/c1-5-12-9(2)17-18(10(12)3)7-6-15-14(19)13-8-20-11(4)16-13/h8H,5-7H2,1-4H3,(H,15,19)
InChIKeyLRPXIFORFXRVDH-UHFFFAOYSA-N
XLogP2.26
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.41
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(3,5-Dimethylpyrazol-1-yl)-2-methylpropyl]-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea
CID 45827587
N-isopropyl-2-methyl-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]-1,3-thiazole-4-carboxamide
CID 50962766
N-[2-(4-ethyl-3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 50974363
1-[3-(3,5-Dimethylpyrazol-1-yl)-2-methylpropyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea
CID 51084055
(2-Cyclopropyl-1,3-thiazol-4-yl)-[3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]methanone
CID 56779825
N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-3-isopropyl-1-methyl-1H-pyrazole-5-carboxamide
CID 70712275
(2-Methyl-1,3-thiazol-4-yl)-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 72044195
N-{2-methyl-3-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]propyl}-2-propyl-1,3-thiazole-4-carboxamide
CID 72917099
N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-1-ethyl-3,5-dimethylpyrazole-4-carboxamide
CID 75358483
2-methyl-N-((4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)methyl)thiazole-4-carboxamide
CID 91629621
2-{1-[2-(5-Methyl-3-trifluoromethyl-pyrazol-1-yl)-acetyl]-piperidin-4-yl}-thiazole-4-carboxylic acid hydroxyamide
CID 86703091
2-(3,5-dimethylpyrazol-1-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide
CID 45804051

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-2-methyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-2-methyl-1,3-thiazole-4-carboxamide (CID 50973597) is N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-2-methyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-2-methyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-2-methyl-1,3-thiazole-4-carboxamide is CCc1c(C)nn(CCNC(=O)c2csc(C)n2)c1C.
What is the InChIKey of N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-2-methyl-1,3-thiazole-4-carboxamide?
The InChIKey is LRPXIFORFXRVDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4OS/c1-5-12-9(2)17-18(10(12)3)7-6-15-14(19)13-8-20-11(4)16-13/h8H,5-7H2,1-4H3,(H,15,19).
What are the key properties of N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-2-methyl-1,3-thiazole-4-carboxamide?
N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-2-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 292.41 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-2-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 50973597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).