5-[4-[(1S)-3-tert-butylcyclopentyl]piperazin-1-yl]-N-methyl-1,3-thiazole-2-carboxamide

C18H30N4OS — CID 176965172

IUPAC5-[4-[(1S)-3-tert-butylcyclopentyl]piperazin-1-yl]-N-methyl-1,3-thiazole-2-carboxamide
SMILESCNC(=O)c1ncc(N2CCN([C@H]3CCC(C(C)(C)C)C3)CC2)s1
InChIInChI=1S/C18H30N4OS/c1-18(2,3)13-5-6-14(11-13)21-7-9-22(10-8-21)15-12-20-17(24-15)16(23)19-4/h12-14H,5-11H2,1-4H3,(H,19,23)/t13?,14-/m0/s1
InChIKeyZYTGACAKTZUPNH-KZUDCZAMSA-N
MW350.53 g/mol
LogP2.84
Rot. Bonds3

About 5-[4-[(1S)-3-tert-butylcyclopentyl]piperazin-1-yl]-N-methyl-1,3-thiazole-2-carboxamide

5-[4-[(1S)-3-tert-butylcyclopentyl]piperazin-1-yl]-N-methyl-1,3-thiazole-2-carboxamide (PubChem CID 176965172) has the molecular formula C18H30N4OS and a molecular weight of 350.53 g/mol. Its IUPAC name is 5-[4-[(1S)-3-tert-butylcyclopentyl]piperazin-1-yl]-N-methyl-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound Name5-[4-[(1S)-3-tert-butylcyclopentyl]piperazin-1-yl]-N-methyl-1,3-thiazole-2-carboxamide
PubChem CID176965172
Molecular FormulaC18H30N4OS
Molecular Weight350.53 g/mol
Exact Mass350.21
IUPAC Name5-[4-[(1S)-3-tert-butylcyclopentyl]piperazin-1-yl]-N-methyl-1,3-thiazole-2-carboxamide
SMILESCNC(=O)c1ncc(N2CCN([C@H]3CCC(C(C)(C)C)C3)CC2)s1
InChIInChI=1S/C18H30N4OS/c1-18(2,3)13-5-6-14(11-13)21-7-9-22(10-8-21)15-12-20-17(24-15)16(23)19-4/h12-14H,5-11H2,1-4H3,(H,19,23)/t13?,14-/m0/s1
InChIKeyZYTGACAKTZUPNH-KZUDCZAMSA-N
XLogP2.84
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.53
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[(1S)-3-tert-butylcyclopentyl]piperazin-1-yl]-N-methyl-1,3-thiazole-2-carboxamide?
The IUPAC name of 5-[4-[(1S)-3-tert-butylcyclopentyl]piperazin-1-yl]-N-methyl-1,3-thiazole-2-carboxamide (CID 176965172) is 5-[4-[(1S)-3-tert-butylcyclopentyl]piperazin-1-yl]-N-methyl-1,3-thiazole-2-carboxamide.
What is the SMILES notation for 5-[4-[(1S)-3-tert-butylcyclopentyl]piperazin-1-yl]-N-methyl-1,3-thiazole-2-carboxamide?
The canonical SMILES for 5-[4-[(1S)-3-tert-butylcyclopentyl]piperazin-1-yl]-N-methyl-1,3-thiazole-2-carboxamide is CNC(=O)c1ncc(N2CCN([C@H]3CCC(C(C)(C)C)C3)CC2)s1.
What is the InChIKey of 5-[4-[(1S)-3-tert-butylcyclopentyl]piperazin-1-yl]-N-methyl-1,3-thiazole-2-carboxamide?
The InChIKey is ZYTGACAKTZUPNH-KZUDCZAMSA-N. The full InChI is InChI=1S/C18H30N4OS/c1-18(2,3)13-5-6-14(11-13)21-7-9-22(10-8-21)15-12-20-17(24-15)16(23)19-4/h12-14H,5-11H2,1-4H3,(H,19,23)/t13?,14-/m0/s1.
What are the key properties of 5-[4-[(1S)-3-tert-butylcyclopentyl]piperazin-1-yl]-N-methyl-1,3-thiazole-2-carboxamide?
5-[4-[(1S)-3-tert-butylcyclopentyl]piperazin-1-yl]-N-methyl-1,3-thiazole-2-carboxamide has a molecular weight of 350.53 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(1S)-3-tert-butylcyclopentyl]piperazin-1-yl]-N-methyl-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 176965172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).