5-[(3,5-dimethylpyrazol-1-yl)methyl]-2-(4-methylpiperazin-1-yl)-1,3-thiazole

C14H21N5S — CID 1485217

IUPAC5-[(3,5-dimethylpyrazol-1-yl)methyl]-2-(4-methylpiperazin-1-yl)-1,3-thiazole
SMILESCc1cc(C)n(Cc2cnc(N3CCN(C)CC3)s2)n1
InChIInChI=1S/C14H21N5S/c1-11-8-12(2)19(16-11)10-13-9-15-14(20-13)18-6-4-17(3)5-7-18/h8-9H,4-7,10H2,1-3H3
InChIKeyCAGZAHVQCYHMPK-UHFFFAOYSA-N
MW291.42 g/mol
LogP1.76
Rot. Bonds3

About 5-[(3,5-dimethylpyrazol-1-yl)methyl]-2-(4-methylpiperazin-1-yl)-1,3-thiazole

5-[(3,5-dimethylpyrazol-1-yl)methyl]-2-(4-methylpiperazin-1-yl)-1,3-thiazole (PubChem CID 1485217) has the molecular formula C14H21N5S and a molecular weight of 291.42 g/mol. Its IUPAC name is 5-[(3,5-dimethylpyrazol-1-yl)methyl]-2-(4-methylpiperazin-1-yl)-1,3-thiazole.

Molecular Properties

Compound Name5-[(3,5-dimethylpyrazol-1-yl)methyl]-2-(4-methylpiperazin-1-yl)-1,3-thiazole
PubChem CID1485217
Molecular FormulaC14H21N5S
Molecular Weight291.42 g/mol
Exact Mass291.15
IUPAC Name5-[(3,5-dimethylpyrazol-1-yl)methyl]-2-(4-methylpiperazin-1-yl)-1,3-thiazole
SMILESCc1cc(C)n(Cc2cnc(N3CCN(C)CC3)s2)n1
InChIInChI=1S/C14H21N5S/c1-11-8-12(2)19(16-11)10-13-9-15-14(20-13)18-6-4-17(3)5-7-18/h8-9H,4-7,10H2,1-3H3
InChIKeyCAGZAHVQCYHMPK-UHFFFAOYSA-N
XLogP1.76
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-{5-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-1,3-thiazol-2-yl}morpholine
CID 1481542
1-Ethyl-3,5-dimethyl-4-(1-methylimidazol-2-yl)sulfanylpyrazole
CID 134088513
2-[2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 53624432
2-{[4-(1,3-Thiazol-2-yl)-1-piperazinyl]methyl}-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
CID 56917819
N-[(3,5-Dimethyl-1H-pyrazol-1-yl)methyl]-2-thiazolamine
CID 565992
4,6-Dimethyl-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrimidine
CID 31537210
2-[4-[1-(Difluoromethyl)-3,5-dimethylpyrazol-4-yl]sulfonylpiperazin-1-yl]-1,3-thiazole
CID 46972339
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-5-methyl-1,3-thiazol-2-amine
CID 75505608
2-[5-Methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone
CID 141431626
2-[5-Methyl-3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole
CID 174731377
N-[[2-(2-amino-6-methylpyrimidin-4-yl)-5-methylpyrazol-3-yl]methyl]-1,3-thiazol-2-amine
CID 126962343
N,N-bis((3,5-dimethyl-1h-pyrazol-1-yl)methyl)thiazol-2-amine
CID 167531223

Frequently Asked Questions

What is the IUPAC name of 5-[(3,5-dimethylpyrazol-1-yl)methyl]-2-(4-methylpiperazin-1-yl)-1,3-thiazole?
The IUPAC name of 5-[(3,5-dimethylpyrazol-1-yl)methyl]-2-(4-methylpiperazin-1-yl)-1,3-thiazole (CID 1485217) is 5-[(3,5-dimethylpyrazol-1-yl)methyl]-2-(4-methylpiperazin-1-yl)-1,3-thiazole.
What is the SMILES notation for 5-[(3,5-dimethylpyrazol-1-yl)methyl]-2-(4-methylpiperazin-1-yl)-1,3-thiazole?
The canonical SMILES for 5-[(3,5-dimethylpyrazol-1-yl)methyl]-2-(4-methylpiperazin-1-yl)-1,3-thiazole is Cc1cc(C)n(Cc2cnc(N3CCN(C)CC3)s2)n1.
What is the InChIKey of 5-[(3,5-dimethylpyrazol-1-yl)methyl]-2-(4-methylpiperazin-1-yl)-1,3-thiazole?
The InChIKey is CAGZAHVQCYHMPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5S/c1-11-8-12(2)19(16-11)10-13-9-15-14(20-13)18-6-4-17(3)5-7-18/h8-9H,4-7,10H2,1-3H3.
What are the key properties of 5-[(3,5-dimethylpyrazol-1-yl)methyl]-2-(4-methylpiperazin-1-yl)-1,3-thiazole?
5-[(3,5-dimethylpyrazol-1-yl)methyl]-2-(4-methylpiperazin-1-yl)-1,3-thiazole has a molecular weight of 291.42 g/mol, XLogP of 1.76, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,5-dimethylpyrazol-1-yl)methyl]-2-(4-methylpiperazin-1-yl)-1,3-thiazole is sourced from PubChem (CID 1485217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).