1-(4-chloro-1,3-thiazol-2-yl)-N-ethylpiperazine-2-carboxamide

C10H15ClN4OS — CID 83157135

IUPAC1-(4-chloro-1,3-thiazol-2-yl)-N-ethylpiperazine-2-carboxamide
SMILESCCNC(=O)C1CNCCN1c1nc(Cl)cs1
InChIInChI=1S/C10H15ClN4OS/c1-2-13-9(16)7-5-12-3-4-15(7)10-14-8(11)6-17-10/h6-7,12H,2-5H2,1H3,(H,13,16)
InChIKeyDNNPQYXTOQPYLU-UHFFFAOYSA-N
MW274.78 g/mol
LogP0.71
Rot. Bonds3

About 1-(4-chloro-1,3-thiazol-2-yl)-N-ethylpiperazine-2-carboxamide

1-(4-chloro-1,3-thiazol-2-yl)-N-ethylpiperazine-2-carboxamide (PubChem CID 83157135) has the molecular formula C10H15ClN4OS and a molecular weight of 274.78 g/mol. Its IUPAC name is 1-(4-chloro-1,3-thiazol-2-yl)-N-ethylpiperazine-2-carboxamide.

Molecular Properties

Compound Name1-(4-chloro-1,3-thiazol-2-yl)-N-ethylpiperazine-2-carboxamide
PubChem CID83157135
Molecular FormulaC10H15ClN4OS
Molecular Weight274.78 g/mol
Exact Mass274.07
IUPAC Name1-(4-chloro-1,3-thiazol-2-yl)-N-ethylpiperazine-2-carboxamide
SMILESCCNC(=O)C1CNCCN1c1nc(Cl)cs1
InChIInChI=1S/C10H15ClN4OS/c1-2-13-9(16)7-5-12-3-4-15(7)10-14-8(11)6-17-10/h6-7,12H,2-5H2,1H3,(H,13,16)
InChIKeyDNNPQYXTOQPYLU-UHFFFAOYSA-N
XLogP0.71
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.78
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4,6-dimethoxypyrimidin-2-yl)-N-ethylpiperazine-2-carboxamide
CID 115355359
1-(5-chloro-6-oxo-1H-pyrimidin-4-yl)-N-ethylpiperazine-2-carboxamide
CID 136978469
1-(5,6-dimethyl-1,2,4-triazin-3-yl)-N-ethylpiperazine-2-carboxamide
CID 114787143
1-(5-bromo-3-chloro-2-pyridinyl)-N-ethylpiperazine-2-carboxamide
CID 103582821
N-ethyl-1-(5-methoxypyrimidin-2-yl)piperazine-2-carboxamide
CID 114600957
N-ethyl-1-(6-methoxy-2-methylpyrimidin-4-yl)piperazine-2-carboxamide
CID 66333888
1-(4-chloro-1,3-thiazol-2-yl)piperidine-2-carboxamide
CID 83155605
N-ethyl-1-(4-methoxy-6-methylpyrimidin-2-yl)piperazine-2-carboxamide
CID 115973484
1-[(4,6-dichloro-3-pyridinyl)methyl]-N-ethylpiperazine-2-carboxamide
CID 116519823
1-(4-ethoxypyrimidin-2-yl)-N-ethylpiperazine-2-carboxamide
CID 115975420
N-ethyl-1-(5-iodothiophene-3-carbonyl)piperazine-2-carboxamide
CID 79694089
N-ethyl-1-(6-oxo-1H-pyrimidin-4-yl)piperazine-2-carboxamide
CID 136978464

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1,3-thiazol-2-yl)-N-ethylpiperazine-2-carboxamide?
The IUPAC name of 1-(4-chloro-1,3-thiazol-2-yl)-N-ethylpiperazine-2-carboxamide (CID 83157135) is 1-(4-chloro-1,3-thiazol-2-yl)-N-ethylpiperazine-2-carboxamide.
What is the SMILES notation for 1-(4-chloro-1,3-thiazol-2-yl)-N-ethylpiperazine-2-carboxamide?
The canonical SMILES for 1-(4-chloro-1,3-thiazol-2-yl)-N-ethylpiperazine-2-carboxamide is CCNC(=O)C1CNCCN1c1nc(Cl)cs1.
What is the InChIKey of 1-(4-chloro-1,3-thiazol-2-yl)-N-ethylpiperazine-2-carboxamide?
The InChIKey is DNNPQYXTOQPYLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN4OS/c1-2-13-9(16)7-5-12-3-4-15(7)10-14-8(11)6-17-10/h6-7,12H,2-5H2,1H3,(H,13,16).
What are the key properties of 1-(4-chloro-1,3-thiazol-2-yl)-N-ethylpiperazine-2-carboxamide?
1-(4-chloro-1,3-thiazol-2-yl)-N-ethylpiperazine-2-carboxamide has a molecular weight of 274.78 g/mol, XLogP of 0.71, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-1,3-thiazol-2-yl)-N-ethylpiperazine-2-carboxamide is sourced from PubChem (CID 83157135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).