2-[1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]imidazol-2-yl]-4-methyl-1,3-thiazole

C14H17N5S — CID 56867971

IUPAC2-[1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]imidazol-2-yl]-4-methyl-1,3-thiazole
SMILESCc1csc(-c2nccn2CCc2c(C)n[nH]c2C)n1
InChIInChI=1S/C14H17N5S/c1-9-8-20-14(16-9)13-15-5-7-19(13)6-4-12-10(2)17-18-11(12)3/h5,7-8H,4,6H2,1-3H3,(H,17,18)
InChIKeyPIOKKLGFNHYBMQ-UHFFFAOYSA-N
MW287.39 g/mol
LogP2.90
Rot. Bonds4

About 2-[1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]imidazol-2-yl]-4-methyl-1,3-thiazole

2-[1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]imidazol-2-yl]-4-methyl-1,3-thiazole (PubChem CID 56867971) has the molecular formula C14H17N5S and a molecular weight of 287.39 g/mol. Its IUPAC name is 2-[1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]imidazol-2-yl]-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-[1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]imidazol-2-yl]-4-methyl-1,3-thiazole
PubChem CID56867971
Molecular FormulaC14H17N5S
Molecular Weight287.39 g/mol
Exact Mass287.12
IUPAC Name2-[1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]imidazol-2-yl]-4-methyl-1,3-thiazole
SMILESCc1csc(-c2nccn2CCc2c(C)n[nH]c2C)n1
InChIInChI=1S/C14H17N5S/c1-9-8-20-14(16-9)13-15-5-7-19(13)6-4-12-10(2)17-18-11(12)3/h5,7-8H,4,6H2,1-3H3,(H,17,18)
InChIKeyPIOKKLGFNHYBMQ-UHFFFAOYSA-N
XLogP2.90
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]imidazol-2-yl]-4-methyl-1,3-thiazole with MolForge

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Related Compounds

2-{1-[(4-methyl-1,3-thiazol-2-yl)methyl]-1H-imidazol-2-yl}-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine
CID 70785769
4-[(1S)-1-[2-(5-tert-butyl-1H-pyrazol-3-yl)imidazol-1-yl]ethyl]-2-methyl-1,3-thiazole
CID 95555738
2-[N,N-bis-(3,5-dimethyl-pyrazolyl-1-ethyl)]aminothiazole
CID 129884963
2-{1-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-1H-imidazol-2-yl}-4-isopropyl-1,3-thiazole
CID 56740090
5-{1-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1H-imidazol-2-yl}-N,N-dimethyl-1,3-thiazol-2-amine
CID 56862794
2-{1-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-1H-imidazol-2-yl}-4-isopropyl-1,3-thiazole
CID 56866331
2-[4-(1H-imidazol-2-yl)-1H-pyrazol-5-yl]-1,3-thiazole
CID 140978061
4-[7-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]-1-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl]-2-methyl-1,3-thiazole
CID 26137203
N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(1,5-dimethylpyrazol-4-yl)ethanamine
CID 43792470
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-imidazo[2,1-b][1,3]thiazol-6-ylmethanamine;hydrochloride
CID 53543142
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-imidazo[2,1-b][1,3]thiazol-6-ylmethanamine
CID 53543143
3,5-dimethyl-4-{2-[2-(3-methyl-2-thienyl)-1H-imidazol-1-yl]ethyl}-1H-pyrazole
CID 56863066

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]imidazol-2-yl]-4-methyl-1,3-thiazole?
The IUPAC name of 2-[1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]imidazol-2-yl]-4-methyl-1,3-thiazole (CID 56867971) is 2-[1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]imidazol-2-yl]-4-methyl-1,3-thiazole.
What is the SMILES notation for 2-[1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]imidazol-2-yl]-4-methyl-1,3-thiazole?
The canonical SMILES for 2-[1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]imidazol-2-yl]-4-methyl-1,3-thiazole is Cc1csc(-c2nccn2CCc2c(C)n[nH]c2C)n1.
What is the InChIKey of 2-[1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]imidazol-2-yl]-4-methyl-1,3-thiazole?
The InChIKey is PIOKKLGFNHYBMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5S/c1-9-8-20-14(16-9)13-15-5-7-19(13)6-4-12-10(2)17-18-11(12)3/h5,7-8H,4,6H2,1-3H3,(H,17,18).
What are the key properties of 2-[1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]imidazol-2-yl]-4-methyl-1,3-thiazole?
2-[1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]imidazol-2-yl]-4-methyl-1,3-thiazole has a molecular weight of 287.39 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]imidazol-2-yl]-4-methyl-1,3-thiazole is sourced from PubChem (CID 56867971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).