2-[4-(3-methoxyphenyl)piperazin-1-yl]-N,N-dimethyl-1,3-thiazole-4-carboxamide

C17H22N4O2S — CID 53161064

IUPAC2-[4-(3-methoxyphenyl)piperazin-1-yl]-N,N-dimethyl-1,3-thiazole-4-carboxamide
SMILESCOc1cccc(N2CCN(c3nc(C(=O)N(C)C)cs3)CC2)c1
InChIInChI=1S/C17H22N4O2S/c1-19(2)16(22)15-12-24-17(18-15)21-9-7-20(8-10-21)13-5-4-6-14(11-13)23-3/h4-6,11-12H,7-10H2,1-3H3
InChIKeyBHJDYUZZHLOFKC-UHFFFAOYSA-N
MW346.46 g/mol
LogP2.18
Rot. Bonds4

About 2-[4-(3-methoxyphenyl)piperazin-1-yl]-N,N-dimethyl-1,3-thiazole-4-carboxamide

2-[4-(3-methoxyphenyl)piperazin-1-yl]-N,N-dimethyl-1,3-thiazole-4-carboxamide (PubChem CID 53161064) has the molecular formula C17H22N4O2S and a molecular weight of 346.46 g/mol. Its IUPAC name is 2-[4-(3-methoxyphenyl)piperazin-1-yl]-N,N-dimethyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[4-(3-methoxyphenyl)piperazin-1-yl]-N,N-dimethyl-1,3-thiazole-4-carboxamide
PubChem CID53161064
Molecular FormulaC17H22N4O2S
Molecular Weight346.46 g/mol
Exact Mass346.15
IUPAC Name2-[4-(3-methoxyphenyl)piperazin-1-yl]-N,N-dimethyl-1,3-thiazole-4-carboxamide
SMILESCOc1cccc(N2CCN(c3nc(C(=O)N(C)C)cs3)CC2)c1
InChIInChI=1S/C17H22N4O2S/c1-19(2)16(22)15-12-24-17(18-15)21-9-7-20(8-10-21)13-5-4-6-14(11-13)23-3/h4-6,11-12H,7-10H2,1-3H3
InChIKeyBHJDYUZZHLOFKC-UHFFFAOYSA-N
XLogP2.18
TPSA48.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-methoxyphenyl)piperazin-1-yl]-N,N-dimethyl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[4-(3-methoxyphenyl)piperazin-1-yl]-N,N-dimethyl-1,3-thiazole-4-carboxamide (CID 53161064) is 2-[4-(3-methoxyphenyl)piperazin-1-yl]-N,N-dimethyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[4-(3-methoxyphenyl)piperazin-1-yl]-N,N-dimethyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[4-(3-methoxyphenyl)piperazin-1-yl]-N,N-dimethyl-1,3-thiazole-4-carboxamide is COc1cccc(N2CCN(c3nc(C(=O)N(C)C)cs3)CC2)c1.
What is the InChIKey of 2-[4-(3-methoxyphenyl)piperazin-1-yl]-N,N-dimethyl-1,3-thiazole-4-carboxamide?
The InChIKey is BHJDYUZZHLOFKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2S/c1-19(2)16(22)15-12-24-17(18-15)21-9-7-20(8-10-21)13-5-4-6-14(11-13)23-3/h4-6,11-12H,7-10H2,1-3H3.
What are the key properties of 2-[4-(3-methoxyphenyl)piperazin-1-yl]-N,N-dimethyl-1,3-thiazole-4-carboxamide?
2-[4-(3-methoxyphenyl)piperazin-1-yl]-N,N-dimethyl-1,3-thiazole-4-carboxamide has a molecular weight of 346.46 g/mol, XLogP of 2.18, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-methoxyphenyl)piperazin-1-yl]-N,N-dimethyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 53161064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).