2-[4-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-N-propylacetamide

C17H30N4OS — CID 36936730

IUPAC2-[4-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-N-propylacetamide
SMILESCCCNC(=O)CN1CCN(Cc2csc(C(C)(C)C)n2)CC1
InChIInChI=1S/C17H30N4OS/c1-5-6-18-15(22)12-21-9-7-20(8-10-21)11-14-13-23-16(19-14)17(2,3)4/h13H,5-12H2,1-4H3,(H,18,22)
InChIKeyCSJWWMMRJOUQOM-UHFFFAOYSA-N
MW338.52 g/mol
LogP2.08
Rot. Bonds6

About 2-[4-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-N-propylacetamide

2-[4-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-N-propylacetamide (PubChem CID 36936730) has the molecular formula C17H30N4OS and a molecular weight of 338.52 g/mol. Its IUPAC name is 2-[4-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-N-propylacetamide.

Molecular Properties

Compound Name2-[4-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-N-propylacetamide
PubChem CID36936730
Molecular FormulaC17H30N4OS
Molecular Weight338.52 g/mol
Exact Mass338.21
IUPAC Name2-[4-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-N-propylacetamide
SMILESCCCNC(=O)CN1CCN(Cc2csc(C(C)(C)C)n2)CC1
InChIInChI=1S/C17H30N4OS/c1-5-6-18-15(22)12-21-9-7-20(8-10-21)11-14-13-23-16(19-14)17(2,3)4/h13H,5-12H2,1-4H3,(H,18,22)
InChIKeyCSJWWMMRJOUQOM-UHFFFAOYSA-N
XLogP2.08
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.52
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide
CID 16188670
2-[(2-ethyl-1,3-thiazol-4-yl)methyl-methylamino]-N-propan-2-ylacetamide
CID 32049043
2-[(2-Ethyl-1,3-thiazol-4-yl)methyl-methylamino]acetamide
CID 47053575
N-cyclopropyl-2-[(2-ethyl-1,3-thiazol-4-yl)methyl-methylamino]-N-methylacetamide
CID 48110218
1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-N-propylpiperidine-3-carboxamide
CID 49440653
methyl N-[2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-2-oxoethyl]carbamate
CID 51095277
2-[(2-Ethyl-1,3-thiazol-4-yl)methyl-propan-2-ylamino]acetamide
CID 53515031
1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-N-propylpiperidine-4-carboxamide
CID 53518138
2-[Propan-2-yl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]acetamide
CID 53518958
1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-propylpiperidine-4-carboxamide
CID 53519126
1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-N-propylpiperidine-4-carboxamide
CID 53519583
2-[(2-Tert-butyl-1,3-thiazol-4-yl)methyl-propan-2-ylamino]acetamide
CID 53521712

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-N-propylacetamide?
The IUPAC name of 2-[4-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-N-propylacetamide (CID 36936730) is 2-[4-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-N-propylacetamide.
What is the SMILES notation for 2-[4-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-N-propylacetamide?
The canonical SMILES for 2-[4-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-N-propylacetamide is CCCNC(=O)CN1CCN(Cc2csc(C(C)(C)C)n2)CC1.
What is the InChIKey of 2-[4-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-N-propylacetamide?
The InChIKey is CSJWWMMRJOUQOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4OS/c1-5-6-18-15(22)12-21-9-7-20(8-10-21)11-14-13-23-16(19-14)17(2,3)4/h13H,5-12H2,1-4H3,(H,18,22).
What are the key properties of 2-[4-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-N-propylacetamide?
2-[4-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-N-propylacetamide has a molecular weight of 338.52 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-N-propylacetamide is sourced from PubChem (CID 36936730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).