4-methyl-5-(1-methylpyrazol-4-yl)-2-propan-2-yl-1,3-thiazole

C11H15N3S — CID 166088674

IUPAC4-methyl-5-(1-methylpyrazol-4-yl)-2-propan-2-yl-1,3-thiazole
SMILESCc1nc(C(C)C)sc1-c1cnn(C)c1
InChIInChI=1S/C11H15N3S/c1-7(2)11-13-8(3)10(15-11)9-5-12-14(4)6-9/h5-7H,1-4H3
InChIKeyLBFBVWOGPQALRA-UHFFFAOYSA-N
MW221.33 g/mol
LogP2.98
Rot. Bonds2

About 4-methyl-5-(1-methylpyrazol-4-yl)-2-propan-2-yl-1,3-thiazole

4-methyl-5-(1-methylpyrazol-4-yl)-2-propan-2-yl-1,3-thiazole (PubChem CID 166088674) has the molecular formula C11H15N3S and a molecular weight of 221.33 g/mol. Its IUPAC name is 4-methyl-5-(1-methylpyrazol-4-yl)-2-propan-2-yl-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-5-(1-methylpyrazol-4-yl)-2-propan-2-yl-1,3-thiazole
PubChem CID166088674
Molecular FormulaC11H15N3S
Molecular Weight221.33 g/mol
Exact Mass221.10
IUPAC Name4-methyl-5-(1-methylpyrazol-4-yl)-2-propan-2-yl-1,3-thiazole
SMILESCc1nc(C(C)C)sc1-c1cnn(C)c1
InChIInChI=1S/C11H15N3S/c1-7(2)11-13-8(3)10(15-11)9-5-12-14(4)6-9/h5-7H,1-4H3
InChIKeyLBFBVWOGPQALRA-UHFFFAOYSA-N
XLogP2.98
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.33
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-4-(5-propan-2-ylthiophen-3-yl)pyrazole
CID 165115873
1-[4-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]ethanone
CID 61059598
3-(1-methylpyrazol-4-yl)-5-propan-2-ylpyridine
CID 59333396
methyl 4-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxylate
CID 78916354
2-[4,6-dimethyl-2-(1-methylpyrazol-4-yl)pyrimidin-5-yl]-N-methylpropan-1-amine
CID 65197799
6-(1-methylpyrazol-4-yl)-2-propan-2-ylpyrimidin-4-amine
CID 80951955
5-(1-tert-butylpyrazol-4-yl)-4-methyl-1,3-thiazol-2-amine
CID 169228380
6-(1-methylpyrazol-4-yl)-2-(5-methylthiophen-2-yl)pyrimidin-4-amine
CID 106716040
N-methyl-5-(1-methylpyrazol-4-yl)-1,3-thiazol-2-amine
CID 116811930
5-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)-3-propan-2-yl-1,2,4-oxadiazole
CID 72903499
2-(1-methylpyrazol-4-yl)-7-propan-2-ylquinoline
CID 167447426
6-(1-methylpyrazol-4-yl)-5-propan-2-yl-1H-pyrimidine-4-thione
CID 106515890

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-(1-methylpyrazol-4-yl)-2-propan-2-yl-1,3-thiazole?
The IUPAC name of 4-methyl-5-(1-methylpyrazol-4-yl)-2-propan-2-yl-1,3-thiazole (CID 166088674) is 4-methyl-5-(1-methylpyrazol-4-yl)-2-propan-2-yl-1,3-thiazole.
What is the SMILES notation for 4-methyl-5-(1-methylpyrazol-4-yl)-2-propan-2-yl-1,3-thiazole?
The canonical SMILES for 4-methyl-5-(1-methylpyrazol-4-yl)-2-propan-2-yl-1,3-thiazole is Cc1nc(C(C)C)sc1-c1cnn(C)c1.
What is the InChIKey of 4-methyl-5-(1-methylpyrazol-4-yl)-2-propan-2-yl-1,3-thiazole?
The InChIKey is LBFBVWOGPQALRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3S/c1-7(2)11-13-8(3)10(15-11)9-5-12-14(4)6-9/h5-7H,1-4H3.
What are the key properties of 4-methyl-5-(1-methylpyrazol-4-yl)-2-propan-2-yl-1,3-thiazole?
4-methyl-5-(1-methylpyrazol-4-yl)-2-propan-2-yl-1,3-thiazole has a molecular weight of 221.33 g/mol, XLogP of 2.98, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-(1-methylpyrazol-4-yl)-2-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 166088674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).