2-(2-ethyl-1,3-thiazol-4-yl)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]acetamide

C15H20N4O2S — CID 51092038

IUPAC2-(2-ethyl-1,3-thiazol-4-yl)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]acetamide
SMILESCCc1nc(CC(=O)Nc2cnn(CC3CCCO3)c2)cs1
InChIInChI=1S/C15H20N4O2S/c1-2-15-18-11(10-22-15)6-14(20)17-12-7-16-19(8-12)9-13-4-3-5-21-13/h7-8,10,13H,2-6,9H2,1H3,(H,17,20)
InChIKeyDVRXJBNEXMQCNT-UHFFFAOYSA-N
MW320.42 g/mol
LogP2.26
Rot. Bonds6

About 2-(2-ethyl-1,3-thiazol-4-yl)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]acetamide

2-(2-ethyl-1,3-thiazol-4-yl)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]acetamide (PubChem CID 51092038) has the molecular formula C15H20N4O2S and a molecular weight of 320.42 g/mol. Its IUPAC name is 2-(2-ethyl-1,3-thiazol-4-yl)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]acetamide.

Molecular Properties

Compound Name2-(2-ethyl-1,3-thiazol-4-yl)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]acetamide
PubChem CID51092038
Molecular FormulaC15H20N4O2S
Molecular Weight320.42 g/mol
Exact Mass320.13
IUPAC Name2-(2-ethyl-1,3-thiazol-4-yl)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]acetamide
SMILESCCc1nc(CC(=O)Nc2cnn(CC3CCCO3)c2)cs1
InChIInChI=1S/C15H20N4O2S/c1-2-15-18-11(10-22-15)6-14(20)17-12-7-16-19(8-12)9-13-4-3-5-21-13/h7-8,10,13H,2-6,9H2,1H3,(H,17,20)
InChIKeyDVRXJBNEXMQCNT-UHFFFAOYSA-N
XLogP2.26
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[1-(Oxolan-2-ylmethyl)pyrazol-4-yl]-3-[2-(1,3-thiazol-2-yl)propan-2-yl]urea
CID 71867120
1-[(5-Ethyl-1,3-thiazol-2-yl)methyl]-1-methyl-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]urea
CID 71981534
1-Methyl-1-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]urea
CID 71984817
1-Methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]urea
CID 71984818
2-methyl-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]-1,3-thiazole-4-carboxamide
CID 97427978
N-{1-[(S)-perhydro-3-furyl]-4-pyrazolyl}-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 97428084
N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-(oxolan-2-ylmethyl)pyrazol-4-amine
CID 43745457
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(oxolan-2-ylmethyl)pyrazol-4-amine
CID 43745582
N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-(oxolan-2-ylmethyl)pyrazol-4-amine
CID 43745592
N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]-1-(oxolan-2-ylmethyl)pyrazol-4-amine
CID 43790969
2-(1-methylpyrazol-4-yl)-N-(oxolan-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 45830513
N-(1-methylpyrazol-4-yl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 47174881

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-1,3-thiazol-4-yl)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]acetamide?
The IUPAC name of 2-(2-ethyl-1,3-thiazol-4-yl)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]acetamide (CID 51092038) is 2-(2-ethyl-1,3-thiazol-4-yl)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]acetamide.
What is the SMILES notation for 2-(2-ethyl-1,3-thiazol-4-yl)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]acetamide?
The canonical SMILES for 2-(2-ethyl-1,3-thiazol-4-yl)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]acetamide is CCc1nc(CC(=O)Nc2cnn(CC3CCCO3)c2)cs1.
What is the InChIKey of 2-(2-ethyl-1,3-thiazol-4-yl)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]acetamide?
The InChIKey is DVRXJBNEXMQCNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2S/c1-2-15-18-11(10-22-15)6-14(20)17-12-7-16-19(8-12)9-13-4-3-5-21-13/h7-8,10,13H,2-6,9H2,1H3,(H,17,20).
What are the key properties of 2-(2-ethyl-1,3-thiazol-4-yl)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]acetamide?
2-(2-ethyl-1,3-thiazol-4-yl)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]acetamide has a molecular weight of 320.42 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-1,3-thiazol-4-yl)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]acetamide is sourced from PubChem (CID 51092038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).