N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-2,4-dimethylpiperazine-1-carboxamide

C17H22N4O2S — CID 71877050

IUPACN-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-2,4-dimethylpiperazine-1-carboxamide
SMILESCOc1ccccc1-c1csc(NC(=O)N2CCN(C)CC2C)n1
InChIInChI=1S/C17H22N4O2S/c1-12-10-20(2)8-9-21(12)17(22)19-16-18-14(11-24-16)13-6-4-5-7-15(13)23-3/h4-7,11-12H,8-10H2,1-3H3,(H,18,19,22)
InChIKeyPVNIIMQXJHMYEY-UHFFFAOYSA-N
MW346.46 g/mol
LogP2.99
Rot. Bonds3

About N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-2,4-dimethylpiperazine-1-carboxamide

N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-2,4-dimethylpiperazine-1-carboxamide (PubChem CID 71877050) has the molecular formula C17H22N4O2S and a molecular weight of 346.46 g/mol. Its IUPAC name is N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-2,4-dimethylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-2,4-dimethylpiperazine-1-carboxamide
PubChem CID71877050
Molecular FormulaC17H22N4O2S
Molecular Weight346.46 g/mol
Exact Mass346.15
IUPAC NameN-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-2,4-dimethylpiperazine-1-carboxamide
SMILESCOc1ccccc1-c1csc(NC(=O)N2CCN(C)CC2C)n1
InChIInChI=1S/C17H22N4O2S/c1-12-10-20(2)8-9-21(12)17(22)19-16-18-14(11-24-16)13-6-4-5-7-15(13)23-3/h4-7,11-12H,8-10H2,1-3H3,(H,18,19,22)
InChIKeyPVNIIMQXJHMYEY-UHFFFAOYSA-N
XLogP2.99
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Abafungin
CID 159326
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CID 735252
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CID 56603818
4-[4-(4-Methoxyphenyl)-1,3-thiazol-2-yl]thiomorpholine
CID 1490762
N-cyclohexyl-4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-amine
CID 2620735
N-Ethyl-N-[4-(4-methoxy-phenyl)-thiazol-2-yl]-propionamide
CID 645119
1-[4-(4-Methoxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 44144332
1-[4-(3-Propan-2-yloxyphenyl)-2-thiazolyl]-4-piperidinecarboxamide
CID 46907658
1-(3-Methoxybenzyl)-3-(4-(pyridin-4-yl)thiazol-2-yl)urea
CID 53492330
3-[(3-Methoxyphenyl)methyl]-1-methyl-1-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea
CID 67450910
1-[(3-Methoxyphenyl)methyl]-1-methyl-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea
CID 87405962
1-[(2-Methoxyphenyl)methyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea
CID 87406786

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-2,4-dimethylpiperazine-1-carboxamide?
The IUPAC name of N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-2,4-dimethylpiperazine-1-carboxamide (CID 71877050) is N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-2,4-dimethylpiperazine-1-carboxamide.
What is the SMILES notation for N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-2,4-dimethylpiperazine-1-carboxamide?
The canonical SMILES for N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-2,4-dimethylpiperazine-1-carboxamide is COc1ccccc1-c1csc(NC(=O)N2CCN(C)CC2C)n1.
What is the InChIKey of N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-2,4-dimethylpiperazine-1-carboxamide?
The InChIKey is PVNIIMQXJHMYEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2S/c1-12-10-20(2)8-9-21(12)17(22)19-16-18-14(11-24-16)13-6-4-5-7-15(13)23-3/h4-7,11-12H,8-10H2,1-3H3,(H,18,19,22).
What are the key properties of N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-2,4-dimethylpiperazine-1-carboxamide?
N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-2,4-dimethylpiperazine-1-carboxamide has a molecular weight of 346.46 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-2,4-dimethylpiperazine-1-carboxamide is sourced from PubChem (CID 71877050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).