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

C11H14N4OS — CID 86968215

IUPAC2-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]-1,3-thiazole-4-carboxamide
SMILESCc1cnn(CCNC(=O)c2csc(C)n2)c1
InChIInChI=1S/C11H14N4OS/c1-8-5-13-15(6-8)4-3-12-11(16)10-7-17-9(2)14-10/h5-7H,3-4H2,1-2H3,(H,12,16)
InChIKeyQMQALUICHUJALC-UHFFFAOYSA-N
MW250.33 g/mol
LogP1.39
Rot. Bonds4

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

2-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]-1,3-thiazole-4-carboxamide (PubChem CID 86968215) has the molecular formula C11H14N4OS and a molecular weight of 250.33 g/mol. Its IUPAC name is 2-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]-1,3-thiazole-4-carboxamide
PubChem CID86968215
Molecular FormulaC11H14N4OS
Molecular Weight250.33 g/mol
Exact Mass250.09
IUPAC Name2-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]-1,3-thiazole-4-carboxamide
SMILESCc1cnn(CCNC(=O)c2csc(C)n2)c1
InChIInChI=1S/C11H14N4OS/c1-8-5-13-15(6-8)4-3-12-11(16)10-7-17-9(2)14-10/h5-7H,3-4H2,1-2H3,(H,12,16)
InChIKeyQMQALUICHUJALC-UHFFFAOYSA-N
XLogP1.39
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.33
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(aminomethyl)-N-[2-(4-methylpyrazol-1-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 114130714
2-methyl-N-[2-(triazol-1-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 50981357
2-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 47445429
4,5-dibromo-N-[2-(4-methylpyrazol-1-yl)ethyl]thiophene-2-carboxamide
CID 113237995
N-(2-bromoethyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 65198942
2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-[2-(4-methylpyrazol-1-yl)ethyl]acetamide
CID 114131593
N-[2-(dimethylamino)ethyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 110647682
1-amino-N-[2-(4-methylpyrazol-1-yl)ethyl]cyclopropane-1-carboxamide
CID 103950251
N-[2-(4-methylpyrazol-1-yl)ethyl]-4-oxo-1H-pyridine-3-carboxamide
CID 103337525
N-(3-imidazol-1-ylpropyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 47447578
2-chloro-N-[2-(4-methylpyrazol-1-yl)ethyl]propanamide
CID 103881624
N-[2-(4-methylpyrazol-1-yl)ethyl]-2-sulfanylbenzamide
CID 114130493

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]-1,3-thiazole-4-carboxamide (CID 86968215) is 2-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]-1,3-thiazole-4-carboxamide is Cc1cnn(CCNC(=O)c2csc(C)n2)c1.
What is the InChIKey of 2-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]-1,3-thiazole-4-carboxamide?
The InChIKey is QMQALUICHUJALC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4OS/c1-8-5-13-15(6-8)4-3-12-11(16)10-7-17-9(2)14-10/h5-7H,3-4H2,1-2H3,(H,12,16).
What are the key properties of 2-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]-1,3-thiazole-4-carboxamide?
2-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]-1,3-thiazole-4-carboxamide has a molecular weight of 250.33 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 86968215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).