5-(cyclobutylmethyl)-2-(1-methylpyrazol-4-yl)-4-(1H-pyrazol-4-yl)-1,3-thiazole

C15H17N5S — CID 175780464

IUPAC5-(cyclobutylmethyl)-2-(1-methylpyrazol-4-yl)-4-(1H-pyrazol-4-yl)-1,3-thiazole
SMILESCn1cc(-c2nc(-c3cn[nH]c3)c(CC3CCC3)s2)cn1
InChIInChI=1S/C15H17N5S/c1-20-9-12(8-18-20)15-19-14(11-6-16-17-7-11)13(21-15)5-10-3-2-4-10/h6-10H,2-5H2,1H3,(H,16,17)
InChIKeyVLRRWRHSPHGJHG-UHFFFAOYSA-N
MW299.40 g/mol
LogP3.28
Rot. Bonds4

About 5-(cyclobutylmethyl)-2-(1-methylpyrazol-4-yl)-4-(1H-pyrazol-4-yl)-1,3-thiazole

5-(cyclobutylmethyl)-2-(1-methylpyrazol-4-yl)-4-(1H-pyrazol-4-yl)-1,3-thiazole (PubChem CID 175780464) has the molecular formula C15H17N5S and a molecular weight of 299.40 g/mol. Its IUPAC name is 5-(cyclobutylmethyl)-2-(1-methylpyrazol-4-yl)-4-(1H-pyrazol-4-yl)-1,3-thiazole.

Molecular Properties

Compound Name5-(cyclobutylmethyl)-2-(1-methylpyrazol-4-yl)-4-(1H-pyrazol-4-yl)-1,3-thiazole
PubChem CID175780464
Molecular FormulaC15H17N5S
Molecular Weight299.40 g/mol
Exact Mass299.12
IUPAC Name5-(cyclobutylmethyl)-2-(1-methylpyrazol-4-yl)-4-(1H-pyrazol-4-yl)-1,3-thiazole
SMILESCn1cc(-c2nc(-c3cn[nH]c3)c(CC3CCC3)s2)cn1
InChIInChI=1S/C15H17N5S/c1-20-9-12(8-18-20)15-19-14(11-6-16-17-7-11)13(21-15)5-10-3-2-4-10/h6-10H,2-5H2,1H3,(H,16,17)
InChIKeyVLRRWRHSPHGJHG-UHFFFAOYSA-N
XLogP3.28
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carbaldehyde;2-(1H-pyrazol-4-yl)-1,3-thiazole-5-carbaldehyde
CID 161017348
N-[[2-(1-methylpyrazol-4-yl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114364134
[4-tert-butyl-2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]methanamine
CID 114360940
N-ethyl-2-(1-methylpyrazol-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 62091832
N-[1-(cyclobutylmethyl)pyrazol-4-yl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 165129952
N-[(2-hydroxycyclopentyl)methyl]-4-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide
CID 111471233
4-ethyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole
CID 115662825
2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-ol
CID 130501332
2-[5-[methyl-(1-propylpiperidin-4-yl)amino]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]-5-(1H-pyrazol-4-yl)pyridin-3-ol
CID 162492684
5,5-dimethyl-2-(1-methylpyrazol-4-yl)-6,7-dihydro-4H-1,3-benzothiazol-7-ol
CID 65197775
4-methyl-5-(piperidin-4-ylmethyl)-2-(1H-pyrrol-3-yl)-1,3-thiazole
CID 136988580
4-(3-bromophenyl)-5-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole
CID 79839270

Frequently Asked Questions

What is the IUPAC name of 5-(cyclobutylmethyl)-2-(1-methylpyrazol-4-yl)-4-(1H-pyrazol-4-yl)-1,3-thiazole?
The IUPAC name of 5-(cyclobutylmethyl)-2-(1-methylpyrazol-4-yl)-4-(1H-pyrazol-4-yl)-1,3-thiazole (CID 175780464) is 5-(cyclobutylmethyl)-2-(1-methylpyrazol-4-yl)-4-(1H-pyrazol-4-yl)-1,3-thiazole.
What is the SMILES notation for 5-(cyclobutylmethyl)-2-(1-methylpyrazol-4-yl)-4-(1H-pyrazol-4-yl)-1,3-thiazole?
The canonical SMILES for 5-(cyclobutylmethyl)-2-(1-methylpyrazol-4-yl)-4-(1H-pyrazol-4-yl)-1,3-thiazole is Cn1cc(-c2nc(-c3cn[nH]c3)c(CC3CCC3)s2)cn1.
What is the InChIKey of 5-(cyclobutylmethyl)-2-(1-methylpyrazol-4-yl)-4-(1H-pyrazol-4-yl)-1,3-thiazole?
The InChIKey is VLRRWRHSPHGJHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5S/c1-20-9-12(8-18-20)15-19-14(11-6-16-17-7-11)13(21-15)5-10-3-2-4-10/h6-10H,2-5H2,1H3,(H,16,17).
What are the key properties of 5-(cyclobutylmethyl)-2-(1-methylpyrazol-4-yl)-4-(1H-pyrazol-4-yl)-1,3-thiazole?
5-(cyclobutylmethyl)-2-(1-methylpyrazol-4-yl)-4-(1H-pyrazol-4-yl)-1,3-thiazole has a molecular weight of 299.40 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclobutylmethyl)-2-(1-methylpyrazol-4-yl)-4-(1H-pyrazol-4-yl)-1,3-thiazole is sourced from PubChem (CID 175780464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).