2-chloro-4-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1,3-thiazole

C10H12ClN3S — CID 62941607

IUPAC2-chloro-4-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1,3-thiazole
SMILESCCn1nc(C)c(-c2csc(Cl)n2)c1C
InChIInChI=1S/C10H12ClN3S/c1-4-14-7(3)9(6(2)13-14)8-5-15-10(11)12-8/h5H,4H2,1-3H3
InChIKeyBWXXZTHDZJLKSB-UHFFFAOYSA-N
MW241.75 g/mol
LogP3.30
Rot. Bonds2

About 2-chloro-4-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1,3-thiazole

2-chloro-4-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1,3-thiazole (PubChem CID 62941607) has the molecular formula C10H12ClN3S and a molecular weight of 241.75 g/mol. Its IUPAC name is 2-chloro-4-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1,3-thiazole.

Molecular Properties

Compound Name2-chloro-4-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1,3-thiazole
PubChem CID62941607
Molecular FormulaC10H12ClN3S
Molecular Weight241.75 g/mol
Exact Mass241.04
IUPAC Name2-chloro-4-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1,3-thiazole
SMILESCCn1nc(C)c(-c2csc(Cl)n2)c1C
InChIInChI=1S/C10H12ClN3S/c1-4-14-7(3)9(6(2)13-14)8-5-15-10(11)12-8/h5H,4H2,1-3H3
InChIKeyBWXXZTHDZJLKSB-UHFFFAOYSA-N
XLogP3.30
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.75
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1,3-thiazole?
The IUPAC name of 2-chloro-4-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1,3-thiazole (CID 62941607) is 2-chloro-4-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1,3-thiazole.
What is the SMILES notation for 2-chloro-4-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1,3-thiazole?
The canonical SMILES for 2-chloro-4-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1,3-thiazole is CCn1nc(C)c(-c2csc(Cl)n2)c1C.
What is the InChIKey of 2-chloro-4-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1,3-thiazole?
The InChIKey is BWXXZTHDZJLKSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3S/c1-4-14-7(3)9(6(2)13-14)8-5-15-10(11)12-8/h5H,4H2,1-3H3.
What are the key properties of 2-chloro-4-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1,3-thiazole?
2-chloro-4-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1,3-thiazole has a molecular weight of 241.75 g/mol, XLogP of 3.30, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1,3-thiazole is sourced from PubChem (CID 62941607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).