(2,4-dimethyl-1,3-thiazol-5-yl)-[3-(1-methylpyrazol-3-yl)piperidin-1-yl]methanone

C15H20N4OS — CID 119103871

IUPAC(2,4-dimethyl-1,3-thiazol-5-yl)-[3-(1-methylpyrazol-3-yl)piperidin-1-yl]methanone
SMILESCc1nc(C)c(C(=O)N2CCCC(c3ccn(C)n3)C2)s1
InChIInChI=1S/C15H20N4OS/c1-10-14(21-11(2)16-10)15(20)19-7-4-5-12(9-19)13-6-8-18(3)17-13/h6,8,12H,4-5,7,9H2,1-3H3
InChIKeySWRQQIWDDTYWJC-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.51
Rot. Bonds2

About (2,4-dimethyl-1,3-thiazol-5-yl)-[3-(1-methylpyrazol-3-yl)piperidin-1-yl]methanone

(2,4-dimethyl-1,3-thiazol-5-yl)-[3-(1-methylpyrazol-3-yl)piperidin-1-yl]methanone (PubChem CID 119103871) has the molecular formula C15H20N4OS and a molecular weight of 304.42 g/mol. Its IUPAC name is (2,4-dimethyl-1,3-thiazol-5-yl)-[3-(1-methylpyrazol-3-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2,4-dimethyl-1,3-thiazol-5-yl)-[3-(1-methylpyrazol-3-yl)piperidin-1-yl]methanone
PubChem CID119103871
Molecular FormulaC15H20N4OS
Molecular Weight304.42 g/mol
Exact Mass304.14
IUPAC Name(2,4-dimethyl-1,3-thiazol-5-yl)-[3-(1-methylpyrazol-3-yl)piperidin-1-yl]methanone
SMILESCc1nc(C)c(C(=O)N2CCCC(c3ccn(C)n3)C2)s1
InChIInChI=1S/C15H20N4OS/c1-10-14(21-11(2)16-10)15(20)19-7-4-5-12(9-19)13-6-8-18(3)17-13/h6,8,12H,4-5,7,9H2,1-3H3
InChIKeySWRQQIWDDTYWJC-UHFFFAOYSA-N
XLogP2.51
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]-3-(1,3-thiazol-4-yl)propan-1-one
CID 72148051
2-isopropyl-N,4-dimethyl-N-[3-(1-methyl-1H-pyrazol-4-yl)propyl]-1,3-thiazole-5-carboxamide
CID 72878755
2,4-dimethyl-N-((4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)methyl)thiazole-5-carboxamide
CID 91629650
1-tert-butyl-5-ethyl-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyrazole-4-carboxamide
CID 47870942
N,4-dimethyl-N-[4-(1H-pyrazol-1-yl)benzyl]-1,3-thiazole-5-carboxamide
CID 70770264
N-[3-(5-cyclopropyl-1H-pyrazol-1-yl)propyl]-2-(2,5-dimethyl-1,3-thiazol-4-yl)acetamide
CID 91831773
2,4-dimethyl-N-((2-(1-methyl-1H-pyrazol-4-yl)pyridin-4-yl)methyl)thiazole-5-carboxamide
CID 122245894
[4-(2-Methylpyrazol-3-yl)piperidin-1-yl]-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]methanone
CID 127339893
N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N-methyl-3-(1-methyl-1H-pyrazol-5-yl)propanamide
CID 132425997
[4-(4-Chloropyrazol-1-yl)piperidin-1-yl]-(4-propan-2-yl-1,3-thiazol-5-yl)methanone
CID 136545984
N-[(1-methylpyrazol-3-yl)methyl]-4-propan-2-yl-1,3-thiazole-5-carboxamide
CID 137992068
2-(4-fluorophenyl)-N,4-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3-thiazole-5-carboxamide
CID 32357739

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethyl-1,3-thiazol-5-yl)-[3-(1-methylpyrazol-3-yl)piperidin-1-yl]methanone?
The IUPAC name of (2,4-dimethyl-1,3-thiazol-5-yl)-[3-(1-methylpyrazol-3-yl)piperidin-1-yl]methanone (CID 119103871) is (2,4-dimethyl-1,3-thiazol-5-yl)-[3-(1-methylpyrazol-3-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (2,4-dimethyl-1,3-thiazol-5-yl)-[3-(1-methylpyrazol-3-yl)piperidin-1-yl]methanone?
The canonical SMILES for (2,4-dimethyl-1,3-thiazol-5-yl)-[3-(1-methylpyrazol-3-yl)piperidin-1-yl]methanone is Cc1nc(C)c(C(=O)N2CCCC(c3ccn(C)n3)C2)s1.
What is the InChIKey of (2,4-dimethyl-1,3-thiazol-5-yl)-[3-(1-methylpyrazol-3-yl)piperidin-1-yl]methanone?
The InChIKey is SWRQQIWDDTYWJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4OS/c1-10-14(21-11(2)16-10)15(20)19-7-4-5-12(9-19)13-6-8-18(3)17-13/h6,8,12H,4-5,7,9H2,1-3H3.
What are the key properties of (2,4-dimethyl-1,3-thiazol-5-yl)-[3-(1-methylpyrazol-3-yl)piperidin-1-yl]methanone?
(2,4-dimethyl-1,3-thiazol-5-yl)-[3-(1-methylpyrazol-3-yl)piperidin-1-yl]methanone has a molecular weight of 304.42 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethyl-1,3-thiazol-5-yl)-[3-(1-methylpyrazol-3-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 119103871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).