2-[1-[2-(3,5-dimethylpyrazol-1-yl)ethyl]imidazol-2-yl]-4-propan-2-yl-1,3-thiazole

C16H21N5S — CID 56740090

IUPAC2-[1-[2-(3,5-dimethylpyrazol-1-yl)ethyl]imidazol-2-yl]-4-propan-2-yl-1,3-thiazole
SMILESCc1cc(C)n(CCn2ccnc2-c2nc(C(C)C)cs2)n1
InChIInChI=1S/C16H21N5S/c1-11(2)14-10-22-16(18-14)15-17-5-6-20(15)7-8-21-13(4)9-12(3)19-21/h5-6,9-11H,7-8H2,1-4H3
InChIKeyQPKMFVKNUOHVJE-UHFFFAOYSA-N
MW315.45 g/mol
LogP3.64
Rot. Bonds5

About 2-[1-[2-(3,5-dimethylpyrazol-1-yl)ethyl]imidazol-2-yl]-4-propan-2-yl-1,3-thiazole

2-[1-[2-(3,5-dimethylpyrazol-1-yl)ethyl]imidazol-2-yl]-4-propan-2-yl-1,3-thiazole (PubChem CID 56740090) has the molecular formula C16H21N5S and a molecular weight of 315.45 g/mol. Its IUPAC name is 2-[1-[2-(3,5-dimethylpyrazol-1-yl)ethyl]imidazol-2-yl]-4-propan-2-yl-1,3-thiazole.

Molecular Properties

Compound Name2-[1-[2-(3,5-dimethylpyrazol-1-yl)ethyl]imidazol-2-yl]-4-propan-2-yl-1,3-thiazole
PubChem CID56740090
Molecular FormulaC16H21N5S
Molecular Weight315.45 g/mol
Exact Mass315.15
IUPAC Name2-[1-[2-(3,5-dimethylpyrazol-1-yl)ethyl]imidazol-2-yl]-4-propan-2-yl-1,3-thiazole
SMILESCc1cc(C)n(CCn2ccnc2-c2nc(C(C)C)cs2)n1
InChIInChI=1S/C16H21N5S/c1-11(2)14-10-22-16(18-14)15-17-5-6-20(15)7-8-21-13(4)9-12(3)19-21/h5-6,9-11H,7-8H2,1-4H3
InChIKeyQPKMFVKNUOHVJE-UHFFFAOYSA-N
XLogP3.64
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.45
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[7-(5,7-Dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)imidazo[1,2-a]pyrimidin-2-yl]-1,3-thiazole
CID 129051755
1-Ethyl-3,5-dimethyl-4-(1-methylimidazol-2-yl)sulfanylpyrazole
CID 134088513
4-[[4-(2-Methylpyrazol-3-yl)piperidin-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole
CID 51104366
4-[(1-cyclopropyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole
CID 53569000
4-[(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole
CID 53581656
N-{[5-(1H-imidazol-2-ylmethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl]methyl}-N-methyl-2-(4-methyl-1,3-thiazol-5-yl)ethanamine
CID 56887554
2-{1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1H-imidazol-2-yl}-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine dihydrochloride
CID 70710123
2-{1-[3-(4-methyl-1,3-thiazol-5-yl)propyl]-1H-imidazol-2-yl}-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine dihydrochloride
CID 70785862
2-[3-(Imidazol-1-ylmethyl)-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-1,3-thiazole
CID 97405323
2-[3-Methyl-5-(trifluoromethyl)pyrazol-1-yl]-4-(pyrazol-1-ylmethyl)-1,3-thiazole
CID 1482186
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

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(3,5-dimethylpyrazol-1-yl)ethyl]imidazol-2-yl]-4-propan-2-yl-1,3-thiazole?
The IUPAC name of 2-[1-[2-(3,5-dimethylpyrazol-1-yl)ethyl]imidazol-2-yl]-4-propan-2-yl-1,3-thiazole (CID 56740090) is 2-[1-[2-(3,5-dimethylpyrazol-1-yl)ethyl]imidazol-2-yl]-4-propan-2-yl-1,3-thiazole.
What is the SMILES notation for 2-[1-[2-(3,5-dimethylpyrazol-1-yl)ethyl]imidazol-2-yl]-4-propan-2-yl-1,3-thiazole?
The canonical SMILES for 2-[1-[2-(3,5-dimethylpyrazol-1-yl)ethyl]imidazol-2-yl]-4-propan-2-yl-1,3-thiazole is Cc1cc(C)n(CCn2ccnc2-c2nc(C(C)C)cs2)n1.
What is the InChIKey of 2-[1-[2-(3,5-dimethylpyrazol-1-yl)ethyl]imidazol-2-yl]-4-propan-2-yl-1,3-thiazole?
The InChIKey is QPKMFVKNUOHVJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5S/c1-11(2)14-10-22-16(18-14)15-17-5-6-20(15)7-8-21-13(4)9-12(3)19-21/h5-6,9-11H,7-8H2,1-4H3.
What are the key properties of 2-[1-[2-(3,5-dimethylpyrazol-1-yl)ethyl]imidazol-2-yl]-4-propan-2-yl-1,3-thiazole?
2-[1-[2-(3,5-dimethylpyrazol-1-yl)ethyl]imidazol-2-yl]-4-propan-2-yl-1,3-thiazole has a molecular weight of 315.45 g/mol, XLogP of 3.64, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(3,5-dimethylpyrazol-1-yl)ethyl]imidazol-2-yl]-4-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 56740090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).