N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-4-thiophen-2-ylpiperazine-1-carboxamide

C15H20N4OS2 — CID 97073669

IUPACN-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-4-thiophen-2-ylpiperazine-1-carboxamide
SMILESCc1csc([C@H](C)NC(=O)N2CCN(c3cccs3)CC2)n1
InChIInChI=1S/C15H20N4OS2/c1-11-10-22-14(16-11)12(2)17-15(20)19-7-5-18(6-8-19)13-4-3-9-21-13/h3-4,9-10,12H,5-8H2,1-2H3,(H,17,20)/t12-/m0/s1
InChIKeyHJECEDKJCSKXDR-LBPRGKRZSA-N
MW336.49 g/mol
LogP3.11
Rot. Bonds3

About N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-4-thiophen-2-ylpiperazine-1-carboxamide

N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-4-thiophen-2-ylpiperazine-1-carboxamide (PubChem CID 97073669) has the molecular formula C15H20N4OS2 and a molecular weight of 336.49 g/mol. Its IUPAC name is N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-4-thiophen-2-ylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-4-thiophen-2-ylpiperazine-1-carboxamide
PubChem CID97073669
Molecular FormulaC15H20N4OS2
Molecular Weight336.49 g/mol
Exact Mass336.11
IUPAC NameN-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-4-thiophen-2-ylpiperazine-1-carboxamide
SMILESCc1csc([C@H](C)NC(=O)N2CCN(c3cccs3)CC2)n1
InChIInChI=1S/C15H20N4OS2/c1-11-10-22-14(16-11)12(2)17-15(20)19-7-5-18(6-8-19)13-4-3-9-21-13/h3-4,9-10,12H,5-8H2,1-2H3,(H,17,20)/t12-/m0/s1
InChIKeyHJECEDKJCSKXDR-LBPRGKRZSA-N
XLogP3.11
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.49
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-4-thiophen-2-ylpiperazine-1-carboxamide?
The IUPAC name of N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-4-thiophen-2-ylpiperazine-1-carboxamide (CID 97073669) is N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-4-thiophen-2-ylpiperazine-1-carboxamide.
What is the SMILES notation for N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-4-thiophen-2-ylpiperazine-1-carboxamide?
The canonical SMILES for N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-4-thiophen-2-ylpiperazine-1-carboxamide is Cc1csc([C@H](C)NC(=O)N2CCN(c3cccs3)CC2)n1.
What is the InChIKey of N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-4-thiophen-2-ylpiperazine-1-carboxamide?
The InChIKey is HJECEDKJCSKXDR-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H20N4OS2/c1-11-10-22-14(16-11)12(2)17-15(20)19-7-5-18(6-8-19)13-4-3-9-21-13/h3-4,9-10,12H,5-8H2,1-2H3,(H,17,20)/t12-/m0/s1.
What are the key properties of N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-4-thiophen-2-ylpiperazine-1-carboxamide?
N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-4-thiophen-2-ylpiperazine-1-carboxamide has a molecular weight of 336.49 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-4-thiophen-2-ylpiperazine-1-carboxamide is sourced from PubChem (CID 97073669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).