4,5-dimethyl-2-[4-(4-methyl-5-nitro-2-pyridinyl)piperazin-1-yl]-1,3-thiazole

C15H19N5O2S — CID 75432040

IUPAC4,5-dimethyl-2-[4-(4-methyl-5-nitro-2-pyridinyl)piperazin-1-yl]-1,3-thiazole
SMILESCc1cc(N2CCN(c3nc(C)c(C)s3)CC2)ncc1[N+](=O)[O-]
InChIInChI=1S/C15H19N5O2S/c1-10-8-14(16-9-13(10)20(21)22)18-4-6-19(7-5-18)15-17-11(2)12(3)23-15/h8-9H,4-7H2,1-3H3
InChIKeyUEZDZVACCPWBHF-UHFFFAOYSA-N
MW333.42 g/mol
LogP2.70
Rot. Bonds3

About 4,5-dimethyl-2-[4-(4-methyl-5-nitro-2-pyridinyl)piperazin-1-yl]-1,3-thiazole

4,5-dimethyl-2-[4-(4-methyl-5-nitro-2-pyridinyl)piperazin-1-yl]-1,3-thiazole (PubChem CID 75432040) has the molecular formula C15H19N5O2S and a molecular weight of 333.42 g/mol. Its IUPAC name is 4,5-dimethyl-2-[4-(4-methyl-5-nitro-2-pyridinyl)piperazin-1-yl]-1,3-thiazole.

Molecular Properties

Compound Name4,5-dimethyl-2-[4-(4-methyl-5-nitro-2-pyridinyl)piperazin-1-yl]-1,3-thiazole
PubChem CID75432040
Molecular FormulaC15H19N5O2S
Molecular Weight333.42 g/mol
Exact Mass333.13
IUPAC Name4,5-dimethyl-2-[4-(4-methyl-5-nitro-2-pyridinyl)piperazin-1-yl]-1,3-thiazole
SMILESCc1cc(N2CCN(c3nc(C)c(C)s3)CC2)ncc1[N+](=O)[O-]
InChIInChI=1S/C15H19N5O2S/c1-10-8-14(16-9-13(10)20(21)22)18-4-6-19(7-5-18)15-17-11(2)12(3)23-15/h8-9H,4-7H2,1-3H3
InChIKeyUEZDZVACCPWBHF-UHFFFAOYSA-N
XLogP2.70
TPSA75.40 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.42
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-ethylsulfonyl-4-(4-methyl-5-nitro-2-pyridinyl)piperazine
CID 133343061
2,2-dimethyl-3-[4-(4-methyl-5-nitro-2-pyridinyl)piperazin-1-yl]propanal
CID 87488643
1-(4-methylcyclohexyl)-4-(4-methyl-5-nitro-2-pyridinyl)piperazine
CID 133339662
4,5-dimethyl-2-[4-(3-methylsulfonyl-4-nitrophenyl)piperazin-1-yl]-1,3-thiazole
CID 133391314
N,N-dimethyl-1-[6-[4-(4-methyl-5-nitro-2-pyridinyl)piperazin-1-yl]-3-pyridinyl]methanamine
CID 133329565
1-(4-methyl-5-nitro-2-pyridinyl)-4-[(3R)-oxolan-3-yl]piperazine
CID 97004799
4-ethoxy-6-methyl-2-[4-(4-methyl-5-nitro-2-pyridinyl)piperazin-1-yl]pyrimidine
CID 133329528
2-[4-(4-fluoro-5-methoxy-2-nitrophenyl)piperazin-1-yl]-4,5-dimethyl-1,3-thiazole
CID 133391156
methyl 5-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]-2-nitrobenzoate
CID 133391198
1-[(1-methylimidazol-2-yl)methyl]-4-(4-methyl-5-nitro-2-pyridinyl)piperazine
CID 133329602
2-[4-(4-methyl-5-nitro-2-pyridinyl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 133455565
2-(3,3-dimethylpiperidin-1-yl)-4-methyl-5-nitropyridine
CID 133339436

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-[4-(4-methyl-5-nitro-2-pyridinyl)piperazin-1-yl]-1,3-thiazole?
The IUPAC name of 4,5-dimethyl-2-[4-(4-methyl-5-nitro-2-pyridinyl)piperazin-1-yl]-1,3-thiazole (CID 75432040) is 4,5-dimethyl-2-[4-(4-methyl-5-nitro-2-pyridinyl)piperazin-1-yl]-1,3-thiazole.
What is the SMILES notation for 4,5-dimethyl-2-[4-(4-methyl-5-nitro-2-pyridinyl)piperazin-1-yl]-1,3-thiazole?
The canonical SMILES for 4,5-dimethyl-2-[4-(4-methyl-5-nitro-2-pyridinyl)piperazin-1-yl]-1,3-thiazole is Cc1cc(N2CCN(c3nc(C)c(C)s3)CC2)ncc1[N+](=O)[O-].
What is the InChIKey of 4,5-dimethyl-2-[4-(4-methyl-5-nitro-2-pyridinyl)piperazin-1-yl]-1,3-thiazole?
The InChIKey is UEZDZVACCPWBHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2S/c1-10-8-14(16-9-13(10)20(21)22)18-4-6-19(7-5-18)15-17-11(2)12(3)23-15/h8-9H,4-7H2,1-3H3.
What are the key properties of 4,5-dimethyl-2-[4-(4-methyl-5-nitro-2-pyridinyl)piperazin-1-yl]-1,3-thiazole?
4,5-dimethyl-2-[4-(4-methyl-5-nitro-2-pyridinyl)piperazin-1-yl]-1,3-thiazole has a molecular weight of 333.42 g/mol, XLogP of 2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-[4-(4-methyl-5-nitro-2-pyridinyl)piperazin-1-yl]-1,3-thiazole is sourced from PubChem (CID 75432040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).