4,5-dimethyl-2-pyrazol-1-yl-1,3-thiazole

C8H9N3S — CID 59696761

IUPAC4,5-dimethyl-2-pyrazol-1-yl-1,3-thiazole
SMILESCc1nc(-n2cccn2)sc1C
InChIInChI=1S/C8H9N3S/c1-6-7(2)12-8(10-6)11-5-3-4-9-11/h3-5H,1-2H3
InChIKeyBGMUPJMGMOEPNC-UHFFFAOYSA-N
MW179.25 g/mol
LogP1.95
Rot. Bonds1

About 4,5-dimethyl-2-pyrazol-1-yl-1,3-thiazole

4,5-dimethyl-2-pyrazol-1-yl-1,3-thiazole (PubChem CID 59696761) has the molecular formula C8H9N3S and a molecular weight of 179.25 g/mol. Its IUPAC name is 4,5-dimethyl-2-pyrazol-1-yl-1,3-thiazole.

Molecular Properties

Compound Name4,5-dimethyl-2-pyrazol-1-yl-1,3-thiazole
PubChem CID59696761
Molecular FormulaC8H9N3S
Molecular Weight179.25 g/mol
Exact Mass179.05
IUPAC Name4,5-dimethyl-2-pyrazol-1-yl-1,3-thiazole
SMILESCc1nc(-n2cccn2)sc1C
InChIInChI=1S/C8H9N3S/c1-6-7(2)12-8(10-6)11-5-3-4-9-11/h3-5H,1-2H3
InChIKeyBGMUPJMGMOEPNC-UHFFFAOYSA-N
XLogP1.95
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.25
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Thiazole, 2-(4-aminopyrazol-1-yl)-4-methyl-
CID 206686
Thiazole, 2-(4-(dimethylamino)pyrazol-1-yl)-4-methyl-, dihydrochloride
CID 206700
[2-(1H-pyrazol-1-yl)-1,3-thiazol-5-yl]methanamine hydrochloride
CID 126697411
2-(1H-pyrazol-1-yl)thiazole
CID 14387157
methyl({[2-(1H-pyrazol-1-yl)-1,3-thiazol-5-yl]methyl})amine
CID 130569346
5-Methyl-2-pyrazol-1-yl-1,3-thiazole
CID 101854448
2-Pyrazol-1-yl-4-(trifluoromethyl)-1,3-thiazole
CID 122641793
1-[2-(1H-pyrazol-1-yl)-1,3-thiazol-5-yl]methanamine
CID 126697412
4-(Trifluoromethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole
CID 141497303
[2-(4-Fluoropyrazol-1-yl)-1,3-thiazol-4-yl]methanamine
CID 170039658
4-Ethyl-2-(4-fluoropyrazol-1-yl)-1,3-thiazole
CID 170039715
2-[5-(Difluoromethyl)pyrazol-1-yl]-5-methyl-1,3-thiazole
CID 173589740

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-pyrazol-1-yl-1,3-thiazole?
The IUPAC name of 4,5-dimethyl-2-pyrazol-1-yl-1,3-thiazole (CID 59696761) is 4,5-dimethyl-2-pyrazol-1-yl-1,3-thiazole.
What is the SMILES notation for 4,5-dimethyl-2-pyrazol-1-yl-1,3-thiazole?
The canonical SMILES for 4,5-dimethyl-2-pyrazol-1-yl-1,3-thiazole is Cc1nc(-n2cccn2)sc1C.
What is the InChIKey of 4,5-dimethyl-2-pyrazol-1-yl-1,3-thiazole?
The InChIKey is BGMUPJMGMOEPNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3S/c1-6-7(2)12-8(10-6)11-5-3-4-9-11/h3-5H,1-2H3.
What are the key properties of 4,5-dimethyl-2-pyrazol-1-yl-1,3-thiazole?
4,5-dimethyl-2-pyrazol-1-yl-1,3-thiazole has a molecular weight of 179.25 g/mol, XLogP of 1.95, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-pyrazol-1-yl-1,3-thiazole is sourced from PubChem (CID 59696761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).