2-[[2-[4-(3-methoxyphenyl)piperazin-1-yl]acetyl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide

C20H27N5O3S — CID 6467343

IUPAC2-[[2-[4-(3-methoxyphenyl)piperazin-1-yl]acetyl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
SMILESCOc1cccc(N2CCN(CC(=O)Nc3nc(C)c(C(=O)N(C)C)s3)CC2)c1
InChIInChI=1S/C20H27N5O3S/c1-14-18(19(27)23(2)3)29-20(21-14)22-17(26)13-24-8-10-25(11-9-24)15-6-5-7-16(12-15)28-4/h5-7,12H,8-11,13H2,1-4H3,(H,21,22,26)
InChIKeyIIGMVDDQJGZMJR-UHFFFAOYSA-N
MW417.54 g/mol
LogP1.92
Rot. Bonds6

About 2-[[2-[4-(3-methoxyphenyl)piperazin-1-yl]acetyl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide

2-[[2-[4-(3-methoxyphenyl)piperazin-1-yl]acetyl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide (PubChem CID 6467343) has the molecular formula C20H27N5O3S and a molecular weight of 417.54 g/mol. Its IUPAC name is 2-[[2-[4-(3-methoxyphenyl)piperazin-1-yl]acetyl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[[2-[4-(3-methoxyphenyl)piperazin-1-yl]acetyl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
PubChem CID6467343
Molecular FormulaC20H27N5O3S
Molecular Weight417.54 g/mol
Exact Mass417.18
IUPAC Name2-[[2-[4-(3-methoxyphenyl)piperazin-1-yl]acetyl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
SMILESCOc1cccc(N2CCN(CC(=O)Nc3nc(C)c(C(=O)N(C)C)s3)CC2)c1
InChIInChI=1S/C20H27N5O3S/c1-14-18(19(27)23(2)3)29-20(21-14)22-17(26)13-24-8-10-25(11-9-24)15-6-5-7-16(12-15)28-4/h5-7,12H,8-11,13H2,1-4H3,(H,21,22,26)
InChIKeyIIGMVDDQJGZMJR-UHFFFAOYSA-N
XLogP1.92
TPSA78.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.54
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[4-(3-methoxyphenyl)piperazin-1-yl]acetyl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[[2-[4-(3-methoxyphenyl)piperazin-1-yl]acetyl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide (CID 6467343) is 2-[[2-[4-(3-methoxyphenyl)piperazin-1-yl]acetyl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[[2-[4-(3-methoxyphenyl)piperazin-1-yl]acetyl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[[2-[4-(3-methoxyphenyl)piperazin-1-yl]acetyl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide is COc1cccc(N2CCN(CC(=O)Nc3nc(C)c(C(=O)N(C)C)s3)CC2)c1.
What is the InChIKey of 2-[[2-[4-(3-methoxyphenyl)piperazin-1-yl]acetyl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide?
The InChIKey is IIGMVDDQJGZMJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O3S/c1-14-18(19(27)23(2)3)29-20(21-14)22-17(26)13-24-8-10-25(11-9-24)15-6-5-7-16(12-15)28-4/h5-7,12H,8-11,13H2,1-4H3,(H,21,22,26).
What are the key properties of 2-[[2-[4-(3-methoxyphenyl)piperazin-1-yl]acetyl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide?
2-[[2-[4-(3-methoxyphenyl)piperazin-1-yl]acetyl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide has a molecular weight of 417.54 g/mol, XLogP of 1.92, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[4-(3-methoxyphenyl)piperazin-1-yl]acetyl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 6467343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).