4-[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]-N-ethylpiperazine-1-carboxamide

C13H21N5O2S — CID 66388121

IUPAC4-[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]-N-ethylpiperazine-1-carboxamide
SMILESCCNC(=O)N1CCN(C(=O)c2csc(C(C)N)n2)CC1
InChIInChI=1S/C13H21N5O2S/c1-3-15-13(20)18-6-4-17(5-7-18)12(19)10-8-21-11(16-10)9(2)14/h8-9H,3-7,14H2,1-2H3,(H,15,20)
InChIKeyDZSDXRWFNLUFAR-UHFFFAOYSA-N
MW311.41 g/mol
LogP0.65
Rot. Bonds3

About 4-[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]-N-ethylpiperazine-1-carboxamide

4-[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]-N-ethylpiperazine-1-carboxamide (PubChem CID 66388121) has the molecular formula C13H21N5O2S and a molecular weight of 311.41 g/mol. Its IUPAC name is 4-[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]-N-ethylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]-N-ethylpiperazine-1-carboxamide
PubChem CID66388121
Molecular FormulaC13H21N5O2S
Molecular Weight311.41 g/mol
Exact Mass311.14
IUPAC Name4-[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]-N-ethylpiperazine-1-carboxamide
SMILESCCNC(=O)N1CCN(C(=O)c2csc(C(C)N)n2)CC1
InChIInChI=1S/C13H21N5O2S/c1-3-15-13(20)18-6-4-17(5-7-18)12(19)10-8-21-11(16-10)9(2)14/h8-9H,3-7,14H2,1-2H3,(H,15,20)
InChIKeyDZSDXRWFNLUFAR-UHFFFAOYSA-N
XLogP0.65
TPSA91.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]piperazine-1-carboxylate
CID 66388535
[2-(1-aminoethyl)-1,3-thiazol-4-yl]-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103495456
[2-(1-aminoethyl)-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 3773363
N-[[1-[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]piperidin-4-yl]methyl]acetamide
CID 102736248
2-[1-[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]piperidin-4-yl]acetamide
CID 66388714
[2-(1-aminoethyl)-1,3-thiazol-4-yl]-(3-hydroxyazetidin-1-yl)methanone
CID 107217663
N-[1-[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]piperidin-4-yl]methanesulfonamide
CID 66388122
[2-(1-aminoethyl)-1,3-thiazol-4-yl]-[4-(methoxymethyl)piperidin-1-yl]methanone
CID 66389375
[2-(1-aminoethyl)-1,3-thiazol-4-yl]-(4-propylazepan-1-yl)methanone
CID 66390338
1-[4-(2-propan-2-yl-1,3-thiazole-4-carbonyl)piperazin-1-yl]ethanone
CID 110694205
[2-(1-aminoethyl)-1,3-thiazol-4-yl]-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 114409397
7-[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 79091741

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]-N-ethylpiperazine-1-carboxamide?
The IUPAC name of 4-[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]-N-ethylpiperazine-1-carboxamide (CID 66388121) is 4-[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]-N-ethylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]-N-ethylpiperazine-1-carboxamide?
The canonical SMILES for 4-[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]-N-ethylpiperazine-1-carboxamide is CCNC(=O)N1CCN(C(=O)c2csc(C(C)N)n2)CC1.
What is the InChIKey of 4-[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]-N-ethylpiperazine-1-carboxamide?
The InChIKey is DZSDXRWFNLUFAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O2S/c1-3-15-13(20)18-6-4-17(5-7-18)12(19)10-8-21-11(16-10)9(2)14/h8-9H,3-7,14H2,1-2H3,(H,15,20).
What are the key properties of 4-[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]-N-ethylpiperazine-1-carboxamide?
4-[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]-N-ethylpiperazine-1-carboxamide has a molecular weight of 311.41 g/mol, XLogP of 0.65, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]-N-ethylpiperazine-1-carboxamide is sourced from PubChem (CID 66388121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).