2-[[4-[2-(tert-butylamino)-2-oxoethyl]piperazin-1-yl]methyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide

C17H29N5O2S — CID 9423231

IUPAC2-[[4-[2-(tert-butylamino)-2-oxoethyl]piperazin-1-yl]methyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCNC(=O)c1sc(CN2CCN(CC(=O)NC(C)(C)C)CC2)nc1C
InChIInChI=1S/C17H29N5O2S/c1-12-15(16(24)18-5)25-14(19-12)11-22-8-6-21(7-9-22)10-13(23)20-17(2,3)4/h6-11H2,1-5H3,(H,18,24)(H,20,23)
InChIKeyGCKQHBBVSZXNAO-UHFFFAOYSA-N
MW367.52 g/mol
LogP0.84
Rot. Bonds5

About 2-[[4-[2-(tert-butylamino)-2-oxoethyl]piperazin-1-yl]methyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide

2-[[4-[2-(tert-butylamino)-2-oxoethyl]piperazin-1-yl]methyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide (PubChem CID 9423231) has the molecular formula C17H29N5O2S and a molecular weight of 367.52 g/mol. Its IUPAC name is 2-[[4-[2-(tert-butylamino)-2-oxoethyl]piperazin-1-yl]methyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[[4-[2-(tert-butylamino)-2-oxoethyl]piperazin-1-yl]methyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide
PubChem CID9423231
Molecular FormulaC17H29N5O2S
Molecular Weight367.52 g/mol
Exact Mass367.20
IUPAC Name2-[[4-[2-(tert-butylamino)-2-oxoethyl]piperazin-1-yl]methyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCNC(=O)c1sc(CN2CCN(CC(=O)NC(C)(C)C)CC2)nc1C
InChIInChI=1S/C17H29N5O2S/c1-12-15(16(24)18-5)25-14(19-12)11-22-8-6-21(7-9-22)10-13(23)20-17(2,3)4/h6-11H2,1-5H3,(H,18,24)(H,20,23)
InChIKeyGCKQHBBVSZXNAO-UHFFFAOYSA-N
XLogP0.84
TPSA77.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.52
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-[2-(tert-butylamino)-2-oxoethyl]piperazin-1-yl]methyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[[4-[2-(tert-butylamino)-2-oxoethyl]piperazin-1-yl]methyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide (CID 9423231) is 2-[[4-[2-(tert-butylamino)-2-oxoethyl]piperazin-1-yl]methyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[[4-[2-(tert-butylamino)-2-oxoethyl]piperazin-1-yl]methyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[[4-[2-(tert-butylamino)-2-oxoethyl]piperazin-1-yl]methyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide is CNC(=O)c1sc(CN2CCN(CC(=O)NC(C)(C)C)CC2)nc1C.
What is the InChIKey of 2-[[4-[2-(tert-butylamino)-2-oxoethyl]piperazin-1-yl]methyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide?
The InChIKey is GCKQHBBVSZXNAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5O2S/c1-12-15(16(24)18-5)25-14(19-12)11-22-8-6-21(7-9-22)10-13(23)20-17(2,3)4/h6-11H2,1-5H3,(H,18,24)(H,20,23).
What are the key properties of 2-[[4-[2-(tert-butylamino)-2-oxoethyl]piperazin-1-yl]methyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide?
2-[[4-[2-(tert-butylamino)-2-oxoethyl]piperazin-1-yl]methyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide has a molecular weight of 367.52 g/mol, XLogP of 0.84, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[2-(tert-butylamino)-2-oxoethyl]piperazin-1-yl]methyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 9423231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).