[4-methyl-2-(3-methyl-2-pyridinyl)-1,3-thiazol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone

C18H24N4OS — CID 59337994

IUPAC[4-methyl-2-(3-methyl-2-pyridinyl)-1,3-thiazol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCc1cccnc1-c1nc(C)c(C(=O)N2CCN(C(C)C)CC2)s1
InChIInChI=1S/C18H24N4OS/c1-12(2)21-8-10-22(11-9-21)18(23)16-14(4)20-17(24-16)15-13(3)6-5-7-19-15/h5-7,12H,8-11H2,1-4H3
InChIKeyKYOQBCXVXUNBEQ-UHFFFAOYSA-N
MW344.48 g/mol
LogP2.99
Rot. Bonds3

About [4-methyl-2-(3-methyl-2-pyridinyl)-1,3-thiazol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone

[4-methyl-2-(3-methyl-2-pyridinyl)-1,3-thiazol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone (PubChem CID 59337994) has the molecular formula C18H24N4OS and a molecular weight of 344.48 g/mol. Its IUPAC name is [4-methyl-2-(3-methyl-2-pyridinyl)-1,3-thiazol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[4-methyl-2-(3-methyl-2-pyridinyl)-1,3-thiazol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
PubChem CID59337994
Molecular FormulaC18H24N4OS
Molecular Weight344.48 g/mol
Exact Mass344.17
IUPAC Name[4-methyl-2-(3-methyl-2-pyridinyl)-1,3-thiazol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCc1cccnc1-c1nc(C)c(C(=O)N2CCN(C(C)C)CC2)s1
InChIInChI=1S/C18H24N4OS/c1-12(2)21-8-10-22(11-9-21)18(23)16-14(4)20-17(24-16)15-13(3)6-5-7-19-15/h5-7,12H,8-11H2,1-4H3
InChIKeyKYOQBCXVXUNBEQ-UHFFFAOYSA-N
XLogP2.99
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)-(4-propan-2-yl-1,4-diazepan-1-yl)methanone
CID 59338745
[4-methyl-2-(4-propan-2-ylphenyl)-1,3-thiazol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 59338506
1-[3-[4-methyl-5-(4-propan-2-ylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]phenyl]ethanone
CID 59337830
[2-(3,5-difluorophenyl)-4-methyl-1,3-thiazol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 59338234
2-methyl-1-[4-(4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carbonyl)piperazin-1-yl]propan-1-one
CID 18159950
(4-methylpiperidin-1-yl)-[4-methyl-2-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-5-yl]methanone
CID 53173008
[2-(3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 42569652
(4-methyl-2-phenyl-1,3-thiazol-5-yl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone
CID 121060440
[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-(4-methyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)methanone
CID 55813581
(4-propan-2-ylpiperazin-1-yl)-pyridazin-3-ylmethanone
CID 126857128
(4-propan-2-ylpiperazin-1-yl)-quinolin-7-ylmethanone
CID 162199187
(4-benzhydrylpiperazin-1-yl)-(2-benzyl-4-methyl-1,3-thiazol-5-yl)methanone
CID 39080626

Frequently Asked Questions

What is the IUPAC name of [4-methyl-2-(3-methyl-2-pyridinyl)-1,3-thiazol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [4-methyl-2-(3-methyl-2-pyridinyl)-1,3-thiazol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone (CID 59337994) is [4-methyl-2-(3-methyl-2-pyridinyl)-1,3-thiazol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [4-methyl-2-(3-methyl-2-pyridinyl)-1,3-thiazol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [4-methyl-2-(3-methyl-2-pyridinyl)-1,3-thiazol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone is Cc1cccnc1-c1nc(C)c(C(=O)N2CCN(C(C)C)CC2)s1.
What is the InChIKey of [4-methyl-2-(3-methyl-2-pyridinyl)-1,3-thiazol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The InChIKey is KYOQBCXVXUNBEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4OS/c1-12(2)21-8-10-22(11-9-21)18(23)16-14(4)20-17(24-16)15-13(3)6-5-7-19-15/h5-7,12H,8-11H2,1-4H3.
What are the key properties of [4-methyl-2-(3-methyl-2-pyridinyl)-1,3-thiazol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone?
[4-methyl-2-(3-methyl-2-pyridinyl)-1,3-thiazol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone has a molecular weight of 344.48 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-2-(3-methyl-2-pyridinyl)-1,3-thiazol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 59337994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).